Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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3,946 – 3,960 of 219,023 results

3,946

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2-Bromo-5-methylthiazole, 98%

CAS: 41731-23-1 Molecular Formula: C4H4BrNS Molecular Weight (g/mol): 178.047 MDL Number: MFCD08460610 InChI Key: FJPZHYAYNAUKKA-UHFFFAOYSA-N Synonym: 2-bromo-5-methylthiazole,2-bromo-5-methyl-thiazole,thiazole, 2-bromo-5-methyl,pubchem20436,acmc-209jlg,2-bromo-5-methyl thiazole,ksc493s9j PubChem CID: 21906106 IUPAC Name: 2-bromo-5-methyl-1,3-thiazole SMILES: CC1=CN=C(S1)Br

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Specifications

PubChem CID	21906106
CAS	41731-23-1
Molecular Weight (g/mol)	178.047
MDL Number	MFCD08460610
SMILES	CC1=CN=C(S1)Br
Synonym	2-bromo-5-methylthiazole,2-bromo-5-methyl-thiazole,thiazole, 2-bromo-5-methyl,pubchem20436,acmc-209jlg,2-bromo-5-methyl thiazole,ksc493s9j
IUPAC Name	2-bromo-5-methyl-1,3-thiazole
InChI Key	FJPZHYAYNAUKKA-UHFFFAOYSA-N
Molecular Formula	C4H4BrNS

3,947

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Pyrazolo[1,5-a]pyridine, 97%

CAS: 274-56-6 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD08752622 InChI Key: DVUBDHRTVYLIPA-UHFFFAOYSA-N Synonym: pyrazolo 1,5-a pyridine,3-azaindoline,pyrazolo 2,3-a pyridine,pyrazolo 1,5-a-pyridine,3-azaindolizine,pyrazolo 1,5-apyridine,h-pyrazolo 1,5-a pyridine PubChem CID: 67507 IUPAC Name: pyrazolo[1,5-a]pyridine SMILES: C1=NN2C=CC=CC2=C1

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Specifications

PubChem CID	67507
CAS	274-56-6
Molecular Weight (g/mol)	118.14
MDL Number	MFCD08752622
SMILES	C1=NN2C=CC=CC2=C1
Synonym	pyrazolo 1,5-a pyridine,3-azaindoline,pyrazolo 2,3-a pyridine,pyrazolo 1,5-a-pyridine,3-azaindolizine,pyrazolo 1,5-apyridine,h-pyrazolo 1,5-a pyridine
IUPAC Name	pyrazolo[1,5-a]pyridine
InChI Key	DVUBDHRTVYLIPA-UHFFFAOYSA-N
Molecular Formula	C7H6N2

3,948

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3-Amino-2,4-dimethylpyridine, 97%

CAS: 1073-21-8 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.171 MDL Number: MFCD08235192 InChI Key: FSYHJEBPLDNXAM-UHFFFAOYSA-N PubChem CID: 14910781 IUPAC Name: 2,4-dimethylpyridin-3-amine SMILES: CC1=C(C(=NC=C1)C)N

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Specifications

PubChem CID	14910781
CAS	1073-21-8
Molecular Weight (g/mol)	122.171
MDL Number	MFCD08235192
SMILES	CC1=C(C(=NC=C1)C)N
IUPAC Name	2,4-dimethylpyridin-3-amine
InChI Key	FSYHJEBPLDNXAM-UHFFFAOYSA-N
Molecular Formula	C7H10N2

3,949

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1-Boc-2-piperidone, 99%

CAS: 85908-96-9 Molecular Formula: C10H17NO3 Molecular Weight (g/mol): 199.25 MDL Number: MFCD02179046 InChI Key: ULMHMJAEGZPQRY-UHFFFAOYSA-N Synonym: 1-boc-2-piperidone,n-boc-2-piperidone,1-boc-1-azacyclohexan-2-one,1-tert-butoxycarbonyl-2-piperidone,n-tert-butoxycarbonyl-2-piperidone,tert-butyl 2-oxo-1-piperidinecarboxylate,1-piperidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester,tert-butyl 2-oxopiperidinecarboxylate,boc-piperidinone,n-boc piperidone PubChem CID: 7577838 ChEBI: CHEBI:59556 IUPAC Name: tert-butyl 2-oxopiperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCCC1=O

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Specifications

PubChem CID	7577838
CAS	85908-96-9
Molecular Weight (g/mol)	199.25
ChEBI	CHEBI:59556
MDL Number	MFCD02179046
SMILES	CC(C)(C)OC(=O)N1CCCCC1=O
Synonym	1-boc-2-piperidone,n-boc-2-piperidone,1-boc-1-azacyclohexan-2-one,1-tert-butoxycarbonyl-2-piperidone,n-tert-butoxycarbonyl-2-piperidone,tert-butyl 2-oxo-1-piperidinecarboxylate,1-piperidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester,tert-butyl 2-oxopiperidinecarboxylate,boc-piperidinone,n-boc piperidone
IUPAC Name	tert-butyl 2-oxopiperidine-1-carboxylate
InChI Key	ULMHMJAEGZPQRY-UHFFFAOYSA-N
Molecular Formula	C10H17NO3

3,950

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4-tert-Butylpyridine

CAS: 3978-81-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 InChI Key: YSHMQTRICHYLGF-UHFFFAOYSA-N IUPAC Name: 4-tert-butylpyridine SMILES: CC(C)(C)C1=CC=NC=C1

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Specifications

CAS	3978-81-2
Molecular Weight (g/mol)	135.21
SMILES	CC(C)(C)C1=CC=NC=C1
IUPAC Name	4-tert-butylpyridine
InChI Key	YSHMQTRICHYLGF-UHFFFAOYSA-N
Molecular Formula	C9H13N

3,951

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2-Fluoro-4-(trifluoromethyl)nicotinic acid, 97%

CAS: 1040681-74-0 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD10687403 InChI Key: ABXMDMDQUVWALB-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl pyridine-3-carboxylic acid,2-fluoro-4-trifluoromethyl pyridine-3-carboxylicacid,2-fluoro-4-trifluoromethyl nicotinic acid,acmc-20anv9 PubChem CID: 28307766 IUPAC Name: 2-fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid SMILES: C1=CN=C(C(=C1C(F)(F)F)C(=O)O)F

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Specifications

PubChem CID	28307766
CAS	1040681-74-0
Molecular Weight (g/mol)	209.1
MDL Number	MFCD10687403
SMILES	C1=CN=C(C(=C1C(F)(F)F)C(=O)O)F
Synonym	2-fluoro-4-trifluoromethyl pyridine-3-carboxylic acid,2-fluoro-4-trifluoromethyl pyridine-3-carboxylicacid,2-fluoro-4-trifluoromethyl nicotinic acid,acmc-20anv9
IUPAC Name	2-fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid
InChI Key	ABXMDMDQUVWALB-UHFFFAOYSA-N
Molecular Formula	C7H3F4NO2

3,952

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Ethyl 6-chloropyridine-2-carboxylate, 97%

CAS: 21190-89-6 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.607 MDL Number: MFCD09878438 InChI Key: ORSVWYSFUABOQU-UHFFFAOYSA-N Synonym: ethyl 6-chloropicolinate,ethyl 6-chloro-2-pyridinecarboxylate,6-chloropyridine-2-carboxylic acid ethyl ester,6-chloro-pyridine-2-carboxylic acid ethyl ester,2-pyridinecarboxylicacid, 6-chloro-, ethyl ester,2-pyridinecarboxylic acid, 6-chloro-, ethyl ester,pubchem17513,acmc-209fib,2-chloro-6-ethoxycarbonyl-pyridine PubChem CID: 11063114 IUPAC Name: ethyl 6-chloropyridine-2-carboxylate SMILES: CCOC(=O)C1=NC(=CC=C1)Cl

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Specifications

PubChem CID	11063114
CAS	21190-89-6
Molecular Weight (g/mol)	185.607
MDL Number	MFCD09878438
SMILES	CCOC(=O)C1=NC(=CC=C1)Cl
Synonym	ethyl 6-chloropicolinate,ethyl 6-chloro-2-pyridinecarboxylate,6-chloropyridine-2-carboxylic acid ethyl ester,6-chloro-pyridine-2-carboxylic acid ethyl ester,2-pyridinecarboxylicacid, 6-chloro-, ethyl ester,2-pyridinecarboxylic acid, 6-chloro-, ethyl ester,pubchem17513,acmc-209fib,2-chloro-6-ethoxycarbonyl-pyridine
IUPAC Name	ethyl 6-chloropyridine-2-carboxylate
InChI Key	ORSVWYSFUABOQU-UHFFFAOYSA-N
Molecular Formula	C8H8ClNO2

3,953

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4-Aminomethyl-2-chloropyridine, 95%

CAS: 144900-57-2 Molecular Formula: C₆H₇ClN₂ Molecular Weight (g/mol): 142.59 InChI Key: GGHCWJWUOSNCSK-UHFFFAOYSA-N Synonym: 2-chloropyridin-4-yl methanamine,4-pyridinemethanamine, 2-chloro,2-chloropyridin-4-yl methylamine,4-aminomethyl-2-chloropyridine,2-chloro-4-aminomethylpyridine,2-chloro-4-pyridyl methylamine,1-2-chloro-4-pyridinyl methanamine,2-chloro-4-pyridinemethanamine,1-2-chloropyridin-4-yl methanamine,c-2-chloro-pyridin-4-yl-methylamine PubChem CID: 2794167 IUPAC Name: (2-chloropyridin-4-yl)methanamine SMILES: C1=CN=C(C=C1CN)Cl

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Specifications

PubChem CID	2794167
CAS	144900-57-2
Molecular Weight (g/mol)	142.59
SMILES	C1=CN=C(C=C1CN)Cl
Synonym	2-chloropyridin-4-yl methanamine,4-pyridinemethanamine, 2-chloro,2-chloropyridin-4-yl methylamine,4-aminomethyl-2-chloropyridine,2-chloro-4-aminomethylpyridine,2-chloro-4-pyridyl methylamine,1-2-chloro-4-pyridinyl methanamine,2-chloro-4-pyridinemethanamine,1-2-chloropyridin-4-yl methanamine,c-2-chloro-pyridin-4-yl-methylamine
IUPAC Name	(2-chloropyridin-4-yl)methanamine
InChI Key	GGHCWJWUOSNCSK-UHFFFAOYSA-N
Molecular Formula	C₆H₇ClN₂

3,954

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3-Bromo-4-chloropyridine, 98%

CAS: 36953-42-1 Molecular Formula: C₅H₃BrClN Molecular Weight (g/mol): 192.44 MDL Number: MFCD00234008 InChI Key: QADXKWUCCGPQNR-UHFFFAOYSA-N Synonym: pyridine, 3-bromo-4-chloro,3-bromo-4-chloro-pyridine,4-chloro-3-bromopyridine,acmc-1ai1d,3-bromo-4-chloropyridine,,ksc222g5j,pyridine,3-bromo-4-chloro-,hydrochloride 1:1 PubChem CID: 817696 IUPAC Name: 3-bromo-4-chloropyridine SMILES: C1=CN=CC(=C1Cl)Br

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Specifications

PubChem CID	817696
CAS	36953-42-1
Molecular Weight (g/mol)	192.44
MDL Number	MFCD00234008
SMILES	C1=CN=CC(=C1Cl)Br
Synonym	pyridine, 3-bromo-4-chloro,3-bromo-4-chloro-pyridine,4-chloro-3-bromopyridine,acmc-1ai1d,3-bromo-4-chloropyridine,,ksc222g5j,pyridine,3-bromo-4-chloro-,hydrochloride 1:1
IUPAC Name	3-bromo-4-chloropyridine
InChI Key	QADXKWUCCGPQNR-UHFFFAOYSA-N
Molecular Formula	C₅H₃BrClN

3,955

Ethyl 1-benzofuran-3-ylacetate, ≥97%, Thermo Scientific™

CAS: 82156-58-9 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.23 MDL Number: MFCD08060514 InChI Key: LSGDCGDXQLDKGO-UHFFFAOYSA-N Synonym: ethyl 2-benzofuran-3-yl acetate,ethyl 1-benzofuran-3-ylacetate,ethyl 2-1-benzofuran-3-yl acetate,ethyl benzo b furan-3-acetate,ethyl2-benzofuran-3-yl acetate,ethyl-1-benzofuran-3-yl acetate,ethyl 2-benzo b furan-3-ylacetate,3-benzofuranaceticacid, ethyl ester,3-benzofuranacetic acid, ethyl ester,benzofuran-3-acetic acid ethyl ester PubChem CID: 7537531 IUPAC Name: ethyl 2-(1-benzofuran-3-yl)acetate SMILES: CCOC(=O)CC1=COC2=CC=CC=C12

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Specifications

PubChem CID	7537531
CAS	82156-58-9
Molecular Weight (g/mol)	204.23
MDL Number	MFCD08060514
SMILES	CCOC(=O)CC1=COC2=CC=CC=C12
Synonym	ethyl 2-benzofuran-3-yl acetate,ethyl 1-benzofuran-3-ylacetate,ethyl 2-1-benzofuran-3-yl acetate,ethyl benzo b furan-3-acetate,ethyl2-benzofuran-3-yl acetate,ethyl-1-benzofuran-3-yl acetate,ethyl 2-benzo b furan-3-ylacetate,3-benzofuranaceticacid, ethyl ester,3-benzofuranacetic acid, ethyl ester,benzofuran-3-acetic acid ethyl ester
IUPAC Name	ethyl 2-(1-benzofuran-3-yl)acetate
InChI Key	LSGDCGDXQLDKGO-UHFFFAOYSA-N
Molecular Formula	C12H12O3

3,956

Bathophenanthrolinedisulfonic Acid Disodium Salt Hydrate, Sigma-Aldrich

CAS: 52746-49-3 Molecular Weight (g/mol): 536.49 g/mol

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Specifications

CAS	52746-49-3
Molecular Weight (g/mol)	536.49 g/mol

3,957

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5-Amino-1-methyl-1H-indazole, 97%, Thermo Scientific™

CAS: 50593-24-3 Molecular Formula: C₈H₉N₃ Molecular Weight (g/mol): 147.18 MDL Number: MFCD03305455 InChI Key: PYOFNPHTKBSXOM-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazol-5-amine,5-amino-1-methyl-1h-indazole,1-methyl-1h-indazol-5-ylamine,1h-indazol-5-amine, 1-methyl,5-amino-1-methylindazole,1-methyl-1h-indazole-5-amine,pubchem20587,1-methyl-5-aminoindazol,1-methyl-5-indazolamine,1-methyl-5-aminoindazole PubChem CID: 2768032 IUPAC Name: 1-methylindazol-5-amine SMILES: CN1C2=C(C=C(C=C2)N)C=N1

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Specifications

PubChem CID	2768032
CAS	50593-24-3
Molecular Weight (g/mol)	147.18
MDL Number	MFCD03305455
SMILES	CN1C2=C(C=C(C=C2)N)C=N1
Synonym	1-methyl-1h-indazol-5-amine,5-amino-1-methyl-1h-indazole,1-methyl-1h-indazol-5-ylamine,1h-indazol-5-amine, 1-methyl,5-amino-1-methylindazole,1-methyl-1h-indazole-5-amine,pubchem20587,1-methyl-5-aminoindazol,1-methyl-5-indazolamine,1-methyl-5-aminoindazole
IUPAC Name	1-methylindazol-5-amine
InChI Key	PYOFNPHTKBSXOM-UHFFFAOYSA-N
Molecular Formula	C₈H₉N₃

3,958

Nicotine bitartrate dihydrate, MP Biomedicals

CAS: 6-3-6019 Molecular Formula: C18H30N2O14 Molecular Weight (g/mol): 498.44 MDL Number: MFCD00150899 InChI Key: LDMPZNTVIGIREC-HYRPJEHINA-N Synonym: nicotine ditartrate dihydrate,unii-r7m676m8yv,nicotine bitartrate usan,2r,3r-2,3-dihydroxybutanedioic acid;3-2s-1-methylpyrrolidin-2-yl pyridine;dihydrate,nicotine bitartrate who-dd,nicotine acid tartrate dihydrate,s-3-1-methylpyrrolidin-2-yl pyridine bis 2r,3r-2,3-dihydroxysuccinate dihydrate,2r,3r-2,3-dihydroxybutanedioic acid; 3-2s-1-methylpyrrolidin-2-yl pyridine; dihydrate,3-2s-1-methyl-2-pyrrolidinyl pyridine, 2r,3r-2,3-dihydroxybutanedioate 1:2 , dihydrate IUPAC Name: bis((2R,3R)-2,3-dihydroxybutanedioic acid) 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine dihydrate SMILES: O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1

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Specifications

CAS	6-3-6019
Molecular Weight (g/mol)	498.44
MDL Number	MFCD00150899
SMILES	O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1
Synonym	nicotine ditartrate dihydrate,unii-r7m676m8yv,nicotine bitartrate usan,2r,3r-2,3-dihydroxybutanedioic acid;3-2s-1-methylpyrrolidin-2-yl pyridine;dihydrate,nicotine bitartrate who-dd,nicotine acid tartrate dihydrate,s-3-1-methylpyrrolidin-2-yl pyridine bis 2r,3r-2,3-dihydroxysuccinate dihydrate,2r,3r-2,3-dihydroxybutanedioic acid; 3-2s-1-methylpyrrolidin-2-yl pyridine; dihydrate,3-2s-1-methyl-2-pyrrolidinyl pyridine, 2r,3r-2,3-dihydroxybutanedioate 1:2 , dihydrate
IUPAC Name	bis((2R,3R)-2,3-dihydroxybutanedioic acid) 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine dihydrate
InChI Key	LDMPZNTVIGIREC-HYRPJEHINA-N
Molecular Formula	C18H30N2O14

3,959

Cyclopiazonic Acid, MP Biomedicals™

CAS: 18172-33-3 Molecular Formula: C20H20N2O3 Molecular Weight (g/mol): 336.391 InChI Key: SZINUGQCTHLQAZ-AFAVFJNCSA-N Synonym: cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020 PubChem CID: 54711281 SMILES: CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O

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Specifications

PubChem CID	54711281
CAS	18172-33-3
Molecular Weight (g/mol)	336.391
SMILES	CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O
Synonym	cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020
InChI Key	SZINUGQCTHLQAZ-AFAVFJNCSA-N
Molecular Formula	C20H20N2O3

3,960

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5-Amino-3-(4-fluorophenyl)-1H-pyrazole, 97%

CAS: 72411-52-0 Molecular Formula: C9H8FN3 Molecular Weight (g/mol): 177.18 MDL Number: MFCD01023677 InChI Key: QYEHDCXFXONDPV-UHFFFAOYSA-N Synonym: 3-4-fluorophenyl-1h-pyrazol-5-amine,5-4-fluorophenyl-1h-pyrazol-3-amine,5-4-fluorophenyl-2h-pyrazol-3-ylamine,5-amino-3-4-fluorophenyl-1h-pyrazole,5-amino-3-4-fluorophenyl pyrazole,1h-pyrazol-3-amine,5-4-fluorophenyl,5-4-fluorophenyl-2h-pyrazol-3-amine,3-amino-5-4-fluorophenyl-1h-pyrazole,5-4-fluoro-phenyl-2h-pyrazol-3-ylamine,3-4-fluorophenyl pyrazole-5-ylamine PubChem CID: 2759138 IUPAC Name: 5-(4-fluorophenyl)-1H-pyrazol-3-amine SMILES: NC1=NNC(=C1)C1=CC=C(F)C=C1

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Specifications

PubChem CID	2759138
CAS	72411-52-0
Molecular Weight (g/mol)	177.18
MDL Number	MFCD01023677
SMILES	NC1=NNC(=C1)C1=CC=C(F)C=C1
Synonym	3-4-fluorophenyl-1h-pyrazol-5-amine,5-4-fluorophenyl-1h-pyrazol-3-amine,5-4-fluorophenyl-2h-pyrazol-3-ylamine,5-amino-3-4-fluorophenyl-1h-pyrazole,5-amino-3-4-fluorophenyl pyrazole,1h-pyrazol-3-amine,5-4-fluorophenyl,5-4-fluorophenyl-2h-pyrazol-3-amine,3-amino-5-4-fluorophenyl-1h-pyrazole,5-4-fluoro-phenyl-2h-pyrazol-3-ylamine,3-4-fluorophenyl pyrazole-5-ylamine
IUPAC Name	5-(4-fluorophenyl)-1H-pyrazol-3-amine
InChI Key	QYEHDCXFXONDPV-UHFFFAOYSA-N
Molecular Formula	C9H8FN3

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