1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine

C66H63ClF4N30S — CID 159144956

IUPAC1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine
SMILESCc1cc(F)ccc1-n1ccc(N)n1.Cc1cc(N)nn1-c1ccc(F)cc1F.Nc1ccn(-c2ccccc2)n1.Nc1ccn(-c2ccncc2)n1.Nc1ccn(-c2cncnc2)n1.Nc1ccn(-c2ncccc2Cl)n1.Nc1ccn(-c2ncccc2F)n1.Nc1ccn(-c2nccs2)n1
InChIInChI=1S/C10H9F2N3.C10H10FN3.C9H9N3.C8H7ClN4.C8H7FN4.C8H8N4.C7H7N5.C6H6N4S/c1-6-4-10(13)14-15(6)9-3-2-7(11)5-8(9)12;1-7-6-8(11)2-3-9(7)14-5-4-10(12)13-14;10-9-6-7-12(11-9)8-4-2-1-3-5-8;2*9-6-2-1-4-11-8(6)13-5-3-7(10)12-13;9-8-3-6-12(11-8)7-1-4-10-5-2-7;8-7-1-2-12(11-7)6-3-9-5-10-4-6;7-5-1-3-10(9-5)6-8-2-4-11-6/h2-5H,1H3,(H2,13,14);2-6H,1H3,(H2,12,13);1-7H,(H2,10,11);2*1-5H,(H2,10,12);1-6H,(H2,9,11);1-5H,(H2,8,11);1-4H,(H2,7,9)
InChIKeyKIOHGDMMXUSJFH-UHFFFAOYSA-N
MW1419.95 g/mol
LogP9.89
Rot. Bonds8

About 1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine

1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine (PubChem CID 159144956) has the molecular formula C66H63ClF4N30S and a molecular weight of 1419.95 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine
PubChem CID159144956
Molecular FormulaC66H63ClF4N30S
Molecular Weight1419.95 g/mol
Exact Mass1418.52
IUPAC Name1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine
SMILESCc1cc(F)ccc1-n1ccc(N)n1.Cc1cc(N)nn1-c1ccc(F)cc1F.Nc1ccn(-c2ccccc2)n1.Nc1ccn(-c2ccncc2)n1.Nc1ccn(-c2cncnc2)n1.Nc1ccn(-c2ncccc2Cl)n1.Nc1ccn(-c2ncccc2F)n1.Nc1ccn(-c2nccs2)n1
InChIInChI=1S/C10H9F2N3.C10H10FN3.C9H9N3.C8H7ClN4.C8H7FN4.C8H8N4.C7H7N5.C6H6N4S/c1-6-4-10(13)14-15(6)9-3-2-7(11)5-8(9)12;1-7-6-8(11)2-3-9(7)14-5-4-10(12)13-14;10-9-6-7-12(11-9)8-4-2-1-3-5-8;2*9-6-2-1-4-11-8(6)13-5-3-7(10)12-13;9-8-3-6-12(11-8)7-1-4-10-5-2-7;8-7-1-2-12(11-7)6-3-9-5-10-4-6;7-5-1-3-10(9-5)6-8-2-4-11-6/h2-5H,1H3,(H2,13,14);2-6H,1H3,(H2,12,13);1-7H,(H2,10,11);2*1-5H,(H2,10,12);1-6H,(H2,9,11);1-5H,(H2,8,11);1-4H,(H2,7,9)
InChIKeyKIOHGDMMXUSJFH-UHFFFAOYSA-N
XLogP9.89
TPSA428.06 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001419.95
LogP ≤ 59.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine with MolForge

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Related Compounds

2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;1-(1,3-thiazol-2-yl)ethanamine
CID 157788533
N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-[(1S,2S)-2-methylcyclohexyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157891348
3-Chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 159189621
4-[Chloro(difluoro)methyl]-5-methylpyrimidine;4-chloro-3-methylpyridine;4,5-dimethylpyrimidine;1-ethyl-4,5-dimethylpyrazole;3-methyl-4-(trifluoromethyl)pyridine;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole;1,3,4-trimethyl-5-(trifluoromethyl)pyrazole;1,4,5-trimethyl-3-(trifluoromethyl)pyrazole
CID 160621325
2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine
CID 161768094
5-chloro-4-[(7R)-5-[difluoro(1,3-thiazol-2-yl)methyl]-7-(fluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 165375736
2-Chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 157443238
2-[1-[(2-Fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 158570631
2-[1-[(2-Fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;2-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 158933480
2-Chloro-3-fluoro-5-methylpyridine;2-fluoro-4-methylaniline;3-fluoro-5-methylpyridin-2-amine;2-methylaniline;4-methylaniline;6-methylpyridazin-3-amine;3-methylpyridin-2-amine;5-methylpyridin-2-amine;3-methylpyridine-2,6-diamine;5-methylpyrimidin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,3-xylene
CID 159013383
2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-1,4-dimethylbenzene;2-fluoro-3,6-dimethylpyridine
CID 159100983

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine (CID 159144956) is 1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine is Cc1cc(F)ccc1-n1ccc(N)n1.Cc1cc(N)nn1-c1ccc(F)cc1F.Nc1ccn(-c2ccccc2)n1.Nc1ccn(-c2ccncc2)n1.Nc1ccn(-c2cncnc2)n1.Nc1ccn(-c2ncccc2Cl)n1.Nc1ccn(-c2ncccc2F)n1.Nc1ccn(-c2nccs2)n1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine?
The InChIKey is KIOHGDMMXUSJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3.C10H10FN3.C9H9N3.C8H7ClN4.C8H7FN4.C8H8N4.C7H7N5.C6H6N4S/c1-6-4-10(13)14-15(6)9-3-2-7(11)5-8(9)12;1-7-6-8(11)2-3-9(7)14-5-4-10(12)13-14;10-9-6-7-12(11-9)8-4-2-1-3-5-8;2*9-6-2-1-4-11-8(6)13-5-3-7(10)12-13;9-8-3-6-12(11-8)7-1-4-10-5-2-7;8-7-1-2-12(11-7)6-3-9-5-10-4-6;7-5-1-3-10(9-5)6-8-2-4-11-6/h2-5H,1H3,(H2,13,14);2-6H,1H3,(H2,12,13);1-7H,(H2,10,11);2*1-5H,(H2,10,12);1-6H,(H2,9,11);1-5H,(H2,8,11);1-4H,(H2,7,9).
What are the key properties of 1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine?
1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine has a molecular weight of 1419.95 g/mol, XLogP of 9.89, 8 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)pyrazol-3-amine;1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine;1-(4-fluoro-2-methylphenyl)pyrazol-3-amine;1-(3-fluoro-2-pyridinyl)pyrazol-3-amine;1-phenylpyrazol-3-amine;1-pyridin-4-ylpyrazol-3-amine;1-pyrimidin-5-ylpyrazol-3-amine;1-(1,3-thiazol-2-yl)pyrazol-3-amine is sourced from PubChem (CID 159144956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).