3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide

C19H17FN6OS — CID 71802226

IUPAC3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C19H17FN6OS/c1-25-17(11-16(24-25)13-3-5-14(20)6-4-13)18(27)21-9-7-15-12-28-19(23-15)26-10-2-8-22-26/h2-6,8,10-12H,7,9H2,1H3,(H,21,27)
InChIKeyJJWPCCHVTZVWSI-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.84
Rot. Bonds6

About 3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71802226) has the molecular formula C19H17FN6OS and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71802226
Molecular FormulaC19H17FN6OS
Molecular Weight396.45 g/mol
Exact Mass396.12
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C19H17FN6OS/c1-25-17(11-16(24-25)13-3-5-14(20)6-4-13)18(27)21-9-7-15-12-28-19(23-15)26-10-2-8-22-26/h2-6,8,10-12H,7,9H2,1H3,(H,21,27)
InChIKeyJJWPCCHVTZVWSI-UHFFFAOYSA-N
XLogP2.84
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469815
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030714
N-((1H-pyrazol-3-yl)methyl)-2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methylthiazole-5-carboxamide
CID 59481285
2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-((1-methyl-1H-pyrazol-4-yl)methyl)thiazole-5-carboxamide
CID 59481311
2-[[4-[[4-[[amino-(3-fluorophenyl)methylidene]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[3-(dimethylamino)propyl]-5-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 145973581
2-[5-methyl-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049629
2-[5-methyl-4-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049683
2-[(1-but-2-ynylpyrazol-4-yl)-cyclopropylamino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide
CID 178304446
2-[(1-but-2-ynylpyrazol-4-yl)-(cyclopropylmethyl)amino]-5-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-1,3-thiazole-4-carboxamide
CID 171636958
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide (CID 71802226) is 3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1csc(-n2cccn2)n1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is JJWPCCHVTZVWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6OS/c1-25-17(11-16(24-25)13-3-5-14(20)6-4-13)18(27)21-9-7-15-12-28-19(23-15)26-10-2-8-22-26/h2-6,8,10-12H,7,9H2,1H3,(H,21,27).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71802226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).