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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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1

1-Methyl-1H-indazole-4-carboxaldehyde, 95%

CAS: 1053655-56-3 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD10699167 InChI Key: SONWSIAHVBTXPB-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-4-carbaldehyde,1-methyl-1h-indazole-4-carboxaldehyde,4-formyl-1-methyl-1h-indazole,1-methyl-4-indazolecarboxaldehyde PubChem CID: 37818471 IUPAC Name: 1-methylindazole-4-carbaldehyde SMILES: CN1C2=CC=CC(=C2C=N1)C=O

PubChem CID 37818471
CAS 1053655-56-3
Molecular Weight (g/mol) 160.18
MDL Number MFCD10699167
SMILES CN1C2=CC=CC(=C2C=N1)C=O
Synonym 1-methyl-1h-indazole-4-carbaldehyde,1-methyl-1h-indazole-4-carboxaldehyde,4-formyl-1-methyl-1h-indazole,1-methyl-4-indazolecarboxaldehyde
IUPAC Name 1-methylindazole-4-carbaldehyde
InChI Key SONWSIAHVBTXPB-UHFFFAOYSA-N
Molecular Formula C9H8N2O
2

3-Amino-1-methyl-1H-indazole, 95%

CAS: 60301-20-4 Molecular Formula: C8H9N3 Molecular Weight (g/mol): 147.18 MDL Number: MFCD09054755 InChI Key: NYLGITXFVVEBLZ-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazol-3-amine,3-amino-1-methylindazole,3-amino-1-methyl-1h-indazole,1h-indazol-3-amine, 1-methyl,n-methyl-3-aminoindazole,1-methyl-1h-3-indazoleamine,1-methyl-1h-indazole-3-amine,1-methyl-1h-indazol-3-ylamine,1-methyl-1h-indazole-3-ylamine PubChem CID: 12291317 SMILES: CN1N=C(N)C2=CC=CC=C12

PubChem CID 12291317
CAS 60301-20-4
Molecular Weight (g/mol) 147.18
MDL Number MFCD09054755
SMILES CN1N=C(N)C2=CC=CC=C12
Synonym 1-methyl-1h-indazol-3-amine,3-amino-1-methylindazole,3-amino-1-methyl-1h-indazole,1h-indazol-3-amine, 1-methyl,n-methyl-3-aminoindazole,1-methyl-1h-3-indazoleamine,1-methyl-1h-indazole-3-amine,1-methyl-1h-indazol-3-ylamine,1-methyl-1h-indazole-3-ylamine
InChI Key NYLGITXFVVEBLZ-UHFFFAOYSA-N
Molecular Formula C8H9N3
3

Tetrakis(1-pyrazolyl)borate, potassium salt, 95%

CAS: 14782-58-2 Molecular Formula: C12H12BKN8 Molecular Weight (g/mol): 318.2 MDL Number: MFCD00800557 InChI Key: RKBGLZQVHBLUBM-UHFFFAOYSA-N Synonym: tetrakis 1-pyrazolyl borate,potassium tetrakis pyrazol-1-yloxy boranuide PubChem CID: 92043288 IUPAC Name: potassium;tetra(pyrazol-1-yloxy)boranuide SMILES: [B-](ON1C=CC=N1)(ON2C=CC=N2)(ON3C=CC=N3)ON4C=CC=N4.[K+]

PubChem CID 92043288
CAS 14782-58-2
Molecular Weight (g/mol) 318.2
MDL Number MFCD00800557
SMILES [B-](ON1C=CC=N1)(ON2C=CC=N2)(ON3C=CC=N3)ON4C=CC=N4.[K+]
Synonym tetrakis 1-pyrazolyl borate,potassium tetrakis pyrazol-1-yloxy boranuide
IUPAC Name potassium;tetra(pyrazol-1-yloxy)boranuide
InChI Key RKBGLZQVHBLUBM-UHFFFAOYSA-N
Molecular Formula C12H12BKN8
4

4-Amino-1-methyl-1H-pyrazole, 95%

CAS: 69843-13-6 Molecular Formula: C4H7N3 Molecular Weight (g/mol): 97.121 MDL Number: MFCD05667135 InChI Key: LBGSWBJURUFGLR-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazol-4-amine,1-methyl-1h-pyrazol-4-ylamine,4-amino-1-methylpyrazole,1h-pyrazol-4-amine, 1-methyl,1-methyl-1h-pyrazole-4-ylamine,4-amino-1-methyl-1h-pyrazole,1-methylpyrazole-4-ylamine,acmc-20a0x1,4-amino-1-methyl-pyrazole,1-methyl-1h-pyrazole-4-amine PubChem CID: 4770990 IUPAC Name: 1-methylpyrazol-4-amine SMILES: CN1C=C(C=N1)N

PubChem CID 4770990
CAS 69843-13-6
Molecular Weight (g/mol) 97.121
MDL Number MFCD05667135
SMILES CN1C=C(C=N1)N
Synonym 1-methyl-1h-pyrazol-4-amine,1-methyl-1h-pyrazol-4-ylamine,4-amino-1-methylpyrazole,1h-pyrazol-4-amine, 1-methyl,1-methyl-1h-pyrazole-4-ylamine,4-amino-1-methyl-1h-pyrazole,1-methylpyrazole-4-ylamine,acmc-20a0x1,4-amino-1-methyl-pyrazole,1-methyl-1h-pyrazole-4-amine
IUPAC Name 1-methylpyrazol-4-amine
InChI Key LBGSWBJURUFGLR-UHFFFAOYSA-N
Molecular Formula C4H7N3
5

4-(1H-Pyrazol-1-ylmethyl)aniline, 95%, Thermo Scientific™

CAS: 142335-61-3 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.22 MDL Number: MFCD03422514 InChI Key: ISRYTHBRUSOVAB-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-ylmethyl aniline,4-1h-pyrazol-1-yl methyl aniline,4-pyrazol-1-ylmethyl aniline,4-1-pyrazolyl methyl aniline,4-pyrazol-1-ylmethyl-phenylamine,4-pyrazol-1-ylmethylphenylamine,benzenamine,4-1h-pyrazol-1-ylmethyl,4-pyrazolylmethyl phenylamine,pyrazolylmethylaniline PubChem CID: 2764412 IUPAC Name: 4-(pyrazol-1-ylmethyl)aniline SMILES: NC1=CC=C(CN2C=CC=N2)C=C1

PubChem CID 2764412
CAS 142335-61-3
Molecular Weight (g/mol) 173.22
MDL Number MFCD03422514
SMILES NC1=CC=C(CN2C=CC=N2)C=C1
Synonym 4-1h-pyrazol-1-ylmethyl aniline,4-1h-pyrazol-1-yl methyl aniline,4-pyrazol-1-ylmethyl aniline,4-1-pyrazolyl methyl aniline,4-pyrazol-1-ylmethyl-phenylamine,4-pyrazol-1-ylmethylphenylamine,benzenamine,4-1h-pyrazol-1-ylmethyl,4-pyrazolylmethyl phenylamine,pyrazolylmethylaniline
IUPAC Name 4-(pyrazol-1-ylmethyl)aniline
InChI Key ISRYTHBRUSOVAB-UHFFFAOYSA-N
Molecular Formula C10H11N3
6

(1-Methyl-1H-pyrazol-3-yl)methanol, 95%, Thermo Scientific™

CAS: 84547-62-6 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD08690274 InChI Key: WCKJRVKJTUIAFW-UHFFFAOYSA-N PubChem CID: 12845046 IUPAC Name: (1-methylpyrazol-3-yl)methanol SMILES: CN1C=CC(=N1)CO

PubChem CID 12845046
CAS 84547-62-6
Molecular Weight (g/mol) 112.132
MDL Number MFCD08690274
SMILES CN1C=CC(=N1)CO
IUPAC Name (1-methylpyrazol-3-yl)methanol
InChI Key WCKJRVKJTUIAFW-UHFFFAOYSA-N
Molecular Formula C5H8N2O
7

1-(4-Trifluoromethyl-2-pyrimidinyl)-1H-pyrazole-4-sulfonyl chloride, 95%

CAS: 1215564-15-0 Molecular Formula: C8H4ClF3N4O2S Molecular Weight (g/mol): 312.651 MDL Number: MFCD11505058 InChI Key: SADUDBJMXGGXDE-UHFFFAOYSA-N Synonym: 1-4-trifluoromethyl-2-pyrimidinyl-1h-pyrazole-4-sulfonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl-1h-pyrazole-4-sulfonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl-1h-pyrazole-4-sulphonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl pyrazole-4-sulfonyl chloride,chloro 1-4-trifluoromethyl pyrimidin-2-yl pyrazol-4-yl sulfone PubChem CID: 51063957 IUPAC Name: 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-sulfonyl chloride SMILES: C1=CN=C(N=C1C(F)(F)F)N2C=C(C=N2)S(=O)(=O)Cl

PubChem CID 51063957
CAS 1215564-15-0
Molecular Weight (g/mol) 312.651
MDL Number MFCD11505058
SMILES C1=CN=C(N=C1C(F)(F)F)N2C=C(C=N2)S(=O)(=O)Cl
Synonym 1-4-trifluoromethyl-2-pyrimidinyl-1h-pyrazole-4-sulfonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl-1h-pyrazole-4-sulfonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl-1h-pyrazole-4-sulphonyl chloride,1-4-trifluoromethyl pyrimidin-2-yl pyrazole-4-sulfonyl chloride,chloro 1-4-trifluoromethyl pyrimidin-2-yl pyrazol-4-yl sulfone
IUPAC Name 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-sulfonyl chloride
InChI Key SADUDBJMXGGXDE-UHFFFAOYSA-N
Molecular Formula C8H4ClF3N4O2S
8

1-Methyl-1H-pyrazole-4-boronic acid hydrochloride, 95%, Thermo Scientific™

CAS: 1026796-02-0 Molecular Formula: C4H8BClN2O2 Molecular Weight (g/mol): 162.38 MDL Number: MFCD09972098 InChI Key: YFPLZINTZVVVJM-UHFFFAOYSA-N Synonym: 1-methylpyrazole-4-boronic acid, hcl,1-methyl-1h-pyrazol-4-yl boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hydrochloride,1-methylpyrazole-4-boronic acid hcl,1-methyl-1h-pyrazol-4-ylboronic acid hydrochloride,1-methylpyrazol-4-ylboronic acid hydrochloride,1-methylpyrazole-4-boronic acid,hcl,1-methyl-1h-pyrazole-4-boronic acid xhcl,1-methylpyrazole-4-boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hcl PubChem CID: 45158882 IUPAC Name: (1-methylpyrazol-4-yl)boronic acid;hydrochloride SMILES: Cl.CN1C=C(C=N1)B(O)O

PubChem CID 45158882
CAS 1026796-02-0
Molecular Weight (g/mol) 162.38
MDL Number MFCD09972098
SMILES Cl.CN1C=C(C=N1)B(O)O
Synonym 1-methylpyrazole-4-boronic acid, hcl,1-methyl-1h-pyrazol-4-yl boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hydrochloride,1-methylpyrazole-4-boronic acid hcl,1-methyl-1h-pyrazol-4-ylboronic acid hydrochloride,1-methylpyrazol-4-ylboronic acid hydrochloride,1-methylpyrazole-4-boronic acid,hcl,1-methyl-1h-pyrazole-4-boronic acid xhcl,1-methylpyrazole-4-boronic acid hydrochloride,1-methyl-1h-pyrazole-4-boronic acid hcl
IUPAC Name (1-methylpyrazol-4-yl)boronic acid;hydrochloride
InChI Key YFPLZINTZVVVJM-UHFFFAOYSA-N
Molecular Formula C4H8BClN2O2
9

3-(Chloromethyl)-5-(2-furyl)-1-methyl-1H-pyrazole, 95%, Thermo Scientific™

CAS: 876316-48-2 Molecular Formula: C9H9ClN2O Molecular Weight (g/mol): 196.63 MDL Number: MFCD08690269 InChI Key: DZUIHVJDKDNADW-UHFFFAOYSA-N Synonym: 3-chloromethyl-5-2-furyl-1-methyl-1h-pyrazole,3-chloromethyl-5-furan-2-yl-1-methylpyrazole,1h-pyrazole,3-chloromethyl-5-2-furanyl-1-methyl,3-chloromethyl-5-furan-2-yl-1-methyl-1h-pyrazole,2-3-chloromethyl-1-methylpyrazol-5-yl furan PubChem CID: 18525803 IUPAC Name: 3-(chloromethyl)-5-(furan-2-yl)-1-methylpyrazole SMILES: CN1N=C(CCl)C=C1C1=CC=CO1

PubChem CID 18525803
CAS 876316-48-2
Molecular Weight (g/mol) 196.63
MDL Number MFCD08690269
SMILES CN1N=C(CCl)C=C1C1=CC=CO1
Synonym 3-chloromethyl-5-2-furyl-1-methyl-1h-pyrazole,3-chloromethyl-5-furan-2-yl-1-methylpyrazole,1h-pyrazole,3-chloromethyl-5-2-furanyl-1-methyl,3-chloromethyl-5-furan-2-yl-1-methyl-1h-pyrazole,2-3-chloromethyl-1-methylpyrazol-5-yl furan
IUPAC Name 3-(chloromethyl)-5-(furan-2-yl)-1-methylpyrazole
InChI Key DZUIHVJDKDNADW-UHFFFAOYSA-N
Molecular Formula C9H9ClN2O
10

[5-(2-Furyl)-1-methyl-1H-pyrazol-3-yl]methanol, ≥97%, Thermo Scientific™

CAS: 876728-41-5 Molecular Formula: C9H10N2O2 Molecular Weight (g/mol): 178.19 MDL Number: MFCD08271948 InChI Key: XKIFRVDOWHFUHG-UHFFFAOYSA-N Synonym: 5-2-furyl-1-methyl-1h-pyrazol-3-yl methanol,5-fur-2-yl-1-methyl-1h-pyrazol-3-yl methanol,5-furan-2-yl-1-methylpyrazol-3-yl methanol,5-furan-2-yl-1-methyl-1h-pyrazol-3-yl methanol,5-fur-2-yl-3-hydroxymethyl-1-methyl-1h-pyrazole,5-2-furyl-1-methylpyrazol-3-yl methan-1-ol,5-2-furyl-3-hydroxymethyl-1-methyl-1h-pyrazole PubChem CID: 18525802 IUPAC Name: [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanol SMILES: CN1N=C(CO)C=C1C1=CC=CO1

PubChem CID 18525802
CAS 876728-41-5
Molecular Weight (g/mol) 178.19
MDL Number MFCD08271948
SMILES CN1N=C(CO)C=C1C1=CC=CO1
Synonym 5-2-furyl-1-methyl-1h-pyrazol-3-yl methanol,5-fur-2-yl-1-methyl-1h-pyrazol-3-yl methanol,5-furan-2-yl-1-methylpyrazol-3-yl methanol,5-furan-2-yl-1-methyl-1h-pyrazol-3-yl methanol,5-fur-2-yl-3-hydroxymethyl-1-methyl-1h-pyrazole,5-2-furyl-1-methylpyrazol-3-yl methan-1-ol,5-2-furyl-3-hydroxymethyl-1-methyl-1h-pyrazole
IUPAC Name [5-(furan-2-yl)-1-methylpyrazol-3-yl]methanol
InChI Key XKIFRVDOWHFUHG-UHFFFAOYSA-N
Molecular Formula C9H10N2O2
11

1H-Pyrazole-3-boronic acid hydrate, 95%

CAS: 376584-63-3 Molecular Formula: C3H5BN2O2 Molecular Weight (g/mol): 111.90 MDL Number: MFCD07368247 MFCD02020768 InChI Key: NEUWPDLMDVINSN-UHFFFAOYSA-N Synonym: 1h-pyrazol-3-yl boronic acid,pyrazole-3-boronic acid,1h-pyrazol-3-ylboronic acid,1h-pyrazole-3-boronic acid,1h-pyrazole-5-boronic acid,1h-pyrazol-5-yl boronic acid,1h-pyrazol-5-yl-5-boronic acid,pyrazol-3-ylboronic acid,2h-pyrazol-3-ylboronic acid PubChem CID: 11251979 IUPAC Name: 1H-pyrazol-5-ylboronic acid SMILES: OB(O)C1=NNC=C1

PubChem CID 11251979
CAS 376584-63-3
Molecular Weight (g/mol) 111.90
MDL Number MFCD07368247 MFCD02020768
SMILES OB(O)C1=NNC=C1
Synonym 1h-pyrazol-3-yl boronic acid,pyrazole-3-boronic acid,1h-pyrazol-3-ylboronic acid,1h-pyrazole-3-boronic acid,1h-pyrazole-5-boronic acid,1h-pyrazol-5-yl boronic acid,1h-pyrazol-5-yl-5-boronic acid,pyrazol-3-ylboronic acid,2h-pyrazol-3-ylboronic acid
IUPAC Name 1H-pyrazol-5-ylboronic acid
InChI Key NEUWPDLMDVINSN-UHFFFAOYSA-N
Molecular Formula C3H5BN2O2
12

Methyl 1H-indazole-6-carboxylate, 95%, Thermo Scientific™

CAS: 170487-40-8 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD07371612 InChI Key: TUSICEWIXLMXEY-UHFFFAOYSA-N Synonym: 1h-indazole-6-carboxylic acid methyl ester,methyl indazole-6-carboxylate,indazole-6-carboxylic acid methyl ester,6-1h indazole carboxylic acid methyl ester,1h-indazole-6-carboxylic acid, methyl ester,pubchem18064,methyl indazole-6carboxylate,ksc494o4p,methyl-1h-indazole-6-carboxylate,2h-indazole-6-carboxylic acid methyl ester PubChem CID: 286535 IUPAC Name: methyl 1H-indazole-6-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)C=NN2

PubChem CID 286535
CAS 170487-40-8
Molecular Weight (g/mol) 176.175
MDL Number MFCD07371612
SMILES COC(=O)C1=CC2=C(C=C1)C=NN2
Synonym 1h-indazole-6-carboxylic acid methyl ester,methyl indazole-6-carboxylate,indazole-6-carboxylic acid methyl ester,6-1h indazole carboxylic acid methyl ester,1h-indazole-6-carboxylic acid, methyl ester,pubchem18064,methyl indazole-6carboxylate,ksc494o4p,methyl-1h-indazole-6-carboxylate,2h-indazole-6-carboxylic acid methyl ester
IUPAC Name methyl 1H-indazole-6-carboxylate
InChI Key TUSICEWIXLMXEY-UHFFFAOYSA-N
Molecular Formula C9H8N2O2
13

3,5-Dichloro-1H-indazole, 95%, Thermo Scientific Chemicals

CAS: 36760-20-0 Molecular Formula: C7H4Cl2N2 Molecular Weight (g/mol): 187.023 MDL Number: MFCD09263200 InChI Key: QQZISIWJMCCCNH-UHFFFAOYSA-N Synonym: 3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole PubChem CID: 268460 IUPAC Name: 3,5-dichloro-2H-indazole SMILES: C1=CC2=NNC(=C2C=C1Cl)Cl

PubChem CID 268460
CAS 36760-20-0
Molecular Weight (g/mol) 187.023
MDL Number MFCD09263200
SMILES C1=CC2=NNC(=C2C=C1Cl)Cl
Synonym 3,5-dichloro-1h-indazole,1h-indazole,3,5-dichloro,dichloroindazole,3,5-dichloro-indazole,3,5-dichloro-1 2 h-indazole
IUPAC Name 3,5-dichloro-2H-indazole
InChI Key QQZISIWJMCCCNH-UHFFFAOYSA-N
Molecular Formula C7H4Cl2N2
14

3-Amino-5-bromo-1H-indazole, 95%

CAS: 61272-71-7 Molecular Formula: C7H6BrN3 Molecular Weight (g/mol): 212.05 MDL Number: MFCD03426696 InChI Key: OMPYFDJVSAMSMA-UHFFFAOYSA-N Synonym: 3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine PubChem CID: 817910 IUPAC Name: 5-bromo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(Br)C=C12

PubChem CID 817910
CAS 61272-71-7
Molecular Weight (g/mol) 212.05
MDL Number MFCD03426696
SMILES NC1=NNC2=CC=C(Br)C=C12
Synonym 3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine
IUPAC Name 5-bromo-1H-indazol-3-amine
InChI Key OMPYFDJVSAMSMA-UHFFFAOYSA-N
Molecular Formula C7H6BrN3
15

3-Amino-5-iodo-1H-indazole, 95%, Thermo Scientific™

CAS: 88805-76-9 Molecular Formula: C7H6IN3 Molecular Weight (g/mol): 259.05 MDL Number: MFCD09261138 InChI Key: GBUVSJWTWOWRSL-UHFFFAOYSA-N Synonym: 3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine PubChem CID: 20135868 IUPAC Name: 5-iodo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(I)C=C12

PubChem CID 20135868
CAS 88805-76-9
Molecular Weight (g/mol) 259.05
MDL Number MFCD09261138
SMILES NC1=NNC2=CC=C(I)C=C12
Synonym 3-amino-5-iodo-1h-indazole,1h-indazol-3-amine,5-iodo,1h-indazol-3-amine, 5-iodo,3-amino-5-iodoindazole,acmc-20f1u4,5-iodo-1h-indazole-3-ylamine
IUPAC Name 5-iodo-1H-indazol-3-amine
InChI Key GBUVSJWTWOWRSL-UHFFFAOYSA-N
Molecular Formula C7H6IN3