Pyrazoles

Organic heterocyclic compounds that consists of a 5-membered ring of three carbon atoms and two adjacent nitrogen atoms with the formula: C₃H₃N₂H.

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Allopurinol, USP, 98-102%, Spectrum™ Chemical

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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CAS	315-30-0
Molecular Weight (g/mol)	136.11
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
IUPAC Name	1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

Benzydamine hydrochloride

CAS: 132-69-4 Molecular Formula: C19H24ClN3O Molecular Weight (g/mol): 345.871 MDL Number: MFCD00078957 InChI Key: HNNIWKQLJSNAEQ-UHFFFAOYSA-N Synonym: benzydamine hydrochloride,benzydamine hcl,benalgin,benzindamine hydrochloride,benzidamine hydrochloride,benzidan,benzyrin,difflam,dorinamin,enzamin PubChem CID: 65464 IUPAC Name: 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride SMILES: CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl

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PubChem CID	65464
CAS	132-69-4
Molecular Weight (g/mol)	345.871
MDL Number	MFCD00078957
SMILES	CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl
Synonym	benzydamine hydrochloride,benzydamine hcl,benalgin,benzindamine hydrochloride,benzidamine hydrochloride,benzidan,benzyrin,difflam,dorinamin,enzamin
IUPAC Name	3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride
InChI Key	HNNIWKQLJSNAEQ-UHFFFAOYSA-N
Molecular Formula	C19H24ClN3O

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3,5-Dimethylpyrazole, 99%

CAS: 67-51-6 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005243 InChI Key: SDXAWLJRERMRKF-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256 PubChem CID: 6210 IUPAC Name: 3,5-dimethyl-1H-pyrazole SMILES: CC1=CC(C)=NN1

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PubChem CID	6210
CAS	67-51-6
Molecular Weight (g/mol)	96.13
MDL Number	MFCD00005243
SMILES	CC1=CC(C)=NN1
Synonym	3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256
IUPAC Name	3,5-dimethyl-1H-pyrazole
InChI Key	SDXAWLJRERMRKF-UHFFFAOYSA-N
Molecular Formula	C5H8N2

(1,3-Dimethyl-1H-pyrazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 57012-20-1 Molecular Formula: C6H10N2O Molecular Weight (g/mol): 126.159 MDL Number: MFCD02682037 InChI Key: GUJDKMVLHCJODO-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazol-5-yl methanol,1,3-dimethyl-1h-pyrazole-5-yl methanol,1h-pyrazole-5-methanol, 1,3-dimethyl,2,5-dimethylpyrazol-3-yl methanol,2,5-dimethyl-2h-pyrazol-3-yl-methanol,1h-pyrazole-5-methanol,1,3-dimethyl,1,3-dimethylpyrazol-5-yl methan-1-ol,pubchem23626,2,5-dimethyl-3-pyrazolyl methanol,2,5-dimethyl-2h-pyrazole-3-yl methanol PubChem CID: 2776363 IUPAC Name: (2,5-dimethylpyrazol-3-yl)methanol SMILES: CC1=NN(C(=C1)CO)C

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PubChem CID	2776363
CAS	57012-20-1
Molecular Weight (g/mol)	126.159
MDL Number	MFCD02682037
SMILES	CC1=NN(C(=C1)CO)C
Synonym	1,3-dimethyl-1h-pyrazol-5-yl methanol,1,3-dimethyl-1h-pyrazole-5-yl methanol,1h-pyrazole-5-methanol, 1,3-dimethyl,2,5-dimethylpyrazol-3-yl methanol,2,5-dimethyl-2h-pyrazol-3-yl-methanol,1h-pyrazole-5-methanol,1,3-dimethyl,1,3-dimethylpyrazol-5-yl methan-1-ol,pubchem23626,2,5-dimethyl-3-pyrazolyl methanol,2,5-dimethyl-2h-pyrazole-3-yl methanol
IUPAC Name	(2,5-dimethylpyrazol-3-yl)methanol
InChI Key	GUJDKMVLHCJODO-UHFFFAOYSA-N
Molecular Formula	C6H10N2O

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Thermo Scientific Chemicals Allopurinol, 98%

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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PubChem CID	2094
CAS	315-30-0
Molecular Weight (g/mol)	136.11
ChEBI	CHEBI:40279
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
Synonym	allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name	1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

Allopurinol, 99.78%, MP Biomedicals™

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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PubChem CID	2094
CAS	315-30-0
Molecular Weight (g/mol)	136.11
ChEBI	CHEBI:40279
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
Synonym	allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name	1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

Allopurinol Inhibitor of Xanthine Oxidase MP Biomedicals

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

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PubChem CID	2094
CAS	315-30-0
Molecular Weight (g/mol)	136.11
ChEBI	CHEBI:40279
MDL Number	MFCD00599413
SMILES	O=C1N=CN=C2NNC=C12
Synonym	allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name	1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key	OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

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1H-Pyrazole, 98%

CAS: 288-13-1 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.079 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1

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PubChem CID	1048
CAS	288-13-1
Molecular Weight (g/mol)	68.079
ChEBI	CHEBI:17241
MDL Number	MFCD00005234
SMILES	C1=CNN=C1
Synonym	pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1
IUPAC Name	1H-pyrazole
InChI Key	WTKZEGDFNFYCGP-UHFFFAOYSA-N
Molecular Formula	C3H4N2

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1-Methyl-1H-indazole-4-boronic acid pinacol ester, 97%, Thermo Scientific™

CAS: 885698-94-2 Molecular Formula: C14H19BN2O2 Molecular Weight (g/mol): 258.13 MDL Number: MFCD10700158 InChI Key: OZHFBNULPUBRJF-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-indazole,1-methylindazole-4-boronic acid pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-indazole,1-methyl-1h-indazole-4-boronic acid, pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl indazole,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl indazole,1-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-indazole,1h-indazole, 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl PubChem CID: 45480187 IUPAC Name: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole SMILES: CN1N=CC2=C(C=CC=C12)B1OC(C)(C)C(C)(C)O1

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PubChem CID	45480187
CAS	885698-94-2
Molecular Weight (g/mol)	258.13
MDL Number	MFCD10700158
SMILES	CN1N=CC2=C(C=CC=C12)B1OC(C)(C)C(C)(C)O1
Synonym	1-methyl-1h-indazole-4-boronic acid pinacol ester,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-indazole,1-methylindazole-4-boronic acid pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-indazole,1-methyl-1h-indazole-4-boronic acid, pinacol ester,1-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl indazole,1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl indazole,1-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-indazole,1h-indazole, 1-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl
IUPAC Name	1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
InChI Key	OZHFBNULPUBRJF-UHFFFAOYSA-N
Molecular Formula	C14H19BN2O2

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5-Amino-1-methyl-1H-pyrazole, 97%

CAS: 1192-21-8 Molecular Formula: C₄H₇N₃ Molecular Weight (g/mol): 97.12 InChI Key: JESRNIJXVIFVOV-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazol-5-amine,1-methyl-1h-pyrazol-5-ylamine,1-methyl-5-aminopyrazole,5-amino-1-methylpyrazole,5-amino-1-methyl-1h-pyrazole,1h-pyrazol-5-amine, 1-methyl,2-methyl-2h-pyrazol-3-ylamine,5-amino-1-methyl-pyrazole,2-methyl-2h-pyrazol-3-amine,1-methylpyrazole-5-ylamine PubChem CID: 136927 IUPAC Name: 2-methylpyrazol-3-amine SMILES: CN1C(=CC=N1)N

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PubChem CID	136927
CAS	1192-21-8
Molecular Weight (g/mol)	97.12
SMILES	CN1C(=CC=N1)N
Synonym	1-methyl-1h-pyrazol-5-amine,1-methyl-1h-pyrazol-5-ylamine,1-methyl-5-aminopyrazole,5-amino-1-methylpyrazole,5-amino-1-methyl-1h-pyrazole,1h-pyrazol-5-amine, 1-methyl,2-methyl-2h-pyrazol-3-ylamine,5-amino-1-methyl-pyrazole,2-methyl-2h-pyrazol-3-amine,1-methylpyrazole-5-ylamine
IUPAC Name	2-methylpyrazol-3-amine
InChI Key	JESRNIJXVIFVOV-UHFFFAOYSA-N
Molecular Formula	C₄H₇N₃

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4-Nitro-1H-pyrazole, 97%

CAS: 2075-46-9 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00159626 InChI Key: XORHNJQEWQGXCN-UHFFFAOYSA-N Synonym: 4-nitropyrazole,1h-pyrazole, 4-nitro,pyrazole, 4-nitro,4-nitropyrrazole,4-nitropyrazol,4-nitro-pyrazole,4-no2-pyrazole,4-nitro-1h-pyrazol,1h-pyrazole-4-nitro,pubchem14984 PubChem CID: 16376 IUPAC Name: 4-nitro-1H-pyrazole SMILES: [O-][N+](=O)C1=CNN=C1

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PubChem CID	16376
CAS	2075-46-9
Molecular Weight (g/mol)	113.08
MDL Number	MFCD00159626
SMILES	[O-][N+](=O)C1=CNN=C1
Synonym	4-nitropyrazole,1h-pyrazole, 4-nitro,pyrazole, 4-nitro,4-nitropyrrazole,4-nitropyrazol,4-nitro-pyrazole,4-no2-pyrazole,4-nitro-1h-pyrazol,1h-pyrazole-4-nitro,pubchem14984
IUPAC Name	4-nitro-1H-pyrazole
InChI Key	XORHNJQEWQGXCN-UHFFFAOYSA-N
Molecular Formula	C3H3N3O2

Bendazac, Thermo Scientific Chemicals

CAS: 20187-55-7 Molecular Formula: C16H13N2NaO3 Molecular Weight (g/mol): 304.28 InChI Key: GHFGHIKJGVMEFT-UHFFFAOYSA-M IUPAC Name: sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate SMILES: [Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12

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CAS	20187-55-7
Molecular Weight (g/mol)	304.28
SMILES	[Na+].[O-]C(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12
IUPAC Name	sodium 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetate
InChI Key	GHFGHIKJGVMEFT-UHFFFAOYSA-M
Molecular Formula	C16H13N2NaO3

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6-Iodo-1H-indazole, 97%, Thermo Scientific™

CAS: 261953-36-0 Molecular Formula: C₇H₅IN₂ Molecular Weight (g/mol): 244.03 MDL Number: MFCD04114695 InChI Key: RSGAXJZKQDNFEP-UHFFFAOYSA-N Synonym: 6-iodoindazole,1h-indazole, 6-iodo,6-iodo 1h indazole,6-iodo-indazole,pubchem18081,indazole, 6-iodo PubChem CID: 12991241 IUPAC Name: 6-iodo-1H-indazole SMILES: C1=CC2=C(C=C1I)NN=C2

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PubChem CID	12991241
CAS	261953-36-0
Molecular Weight (g/mol)	244.03
MDL Number	MFCD04114695
SMILES	C1=CC2=C(C=C1I)NN=C2
Synonym	6-iodoindazole,1h-indazole, 6-iodo,6-iodo 1h indazole,6-iodo-indazole,pubchem18081,indazole, 6-iodo
IUPAC Name	6-iodo-1H-indazole
InChI Key	RSGAXJZKQDNFEP-UHFFFAOYSA-N
Molecular Formula	C₇H₅IN₂

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3,5-Dimethyl-1H-pyrazole-4-sulfonyl chloride, 97%

CAS: 80466-78-0 Molecular Formula: C5H7ClN2O2S Molecular Weight (g/mol): 194.63 MDL Number: MFCD04969910 InChI Key: NBGSZCQLPLYKJH-UHFFFAOYSA-N Synonym: 1h-pyrazole-4-sulfonylchloride, 3,5-dimethyl,3,5-dimethylpyrazol-4-yl chlorosulfone,1h-pyrazole-4-sulfonyl chloride, 3,5-dimethyl,pyrazole, 4-chlorosulfonyl-3,5-dimethyl,3,5-dimethyl-1h-pyrazole-4-sulfonylchloride,# PubChem CID: 594587 IUPAC Name: 3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride SMILES: CC1=C(C(C)=NN1)S(Cl)(=O)=O

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PubChem CID	594587
CAS	80466-78-0
Molecular Weight (g/mol)	194.63
MDL Number	MFCD04969910
SMILES	CC1=C(C(C)=NN1)S(Cl)(=O)=O
Synonym	1h-pyrazole-4-sulfonylchloride, 3,5-dimethyl,3,5-dimethylpyrazol-4-yl chlorosulfone,1h-pyrazole-4-sulfonyl chloride, 3,5-dimethyl,pyrazole, 4-chlorosulfonyl-3,5-dimethyl,3,5-dimethyl-1h-pyrazole-4-sulfonylchloride,#
IUPAC Name	3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
InChI Key	NBGSZCQLPLYKJH-UHFFFAOYSA-N
Molecular Formula	C5H7ClN2O2S

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1-Methyl-1H-pyrazole, 97+%

CAS: 930-36-9 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.106 MDL Number: MFCD00144943 InChI Key: UQFQONCQIQEYPJ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole,n-methylpyrazole,1h-pyrazole, 1-methyl,pyrazole, 1-methyl,methylpyrazole,1-methyl pyrazole,1-methypyrazole,n-methyl pyrazole,1-methyl-pyrazole,zlchem 255 PubChem CID: 70255 ChEBI: CHEBI:59025 IUPAC Name: 1-methylpyrazole SMILES: CN1C=CC=N1

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PubChem CID	70255
CAS	930-36-9
Molecular Weight (g/mol)	82.106
ChEBI	CHEBI:59025
MDL Number	MFCD00144943
SMILES	CN1C=CC=N1
Synonym	1-methyl-1h-pyrazole,n-methylpyrazole,1h-pyrazole, 1-methyl,pyrazole, 1-methyl,methylpyrazole,1-methyl pyrazole,1-methypyrazole,n-methyl pyrazole,1-methyl-pyrazole,zlchem 255
IUPAC Name	1-methylpyrazole
InChI Key	UQFQONCQIQEYPJ-UHFFFAOYSA-N
Molecular Formula	C4H6N2

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