1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C13H12ClF3N4O2 — CID 141466672

IUPAC1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(CO)NC(=O)c1cn(-c2ncccc2Cl)nc1C(F)(F)F
InChIInChI=1S/C13H12ClF3N4O2/c1-7(6-22)19-12(23)8-5-21(20-10(8)13(15,16)17)11-9(14)3-2-4-18-11/h2-5,7,22H,6H2,1H3,(H,19,23)
InChIKeyCIZSPBXNTRZJMW-UHFFFAOYSA-N
MW348.71 g/mol
LogP2.05
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 141466672) has the molecular formula C13H12ClF3N4O2 and a molecular weight of 348.71 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID141466672
Molecular FormulaC13H12ClF3N4O2
Molecular Weight348.71 g/mol
Exact Mass348.06
IUPAC Name1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(CO)NC(=O)c1cn(-c2ncccc2Cl)nc1C(F)(F)F
InChIInChI=1S/C13H12ClF3N4O2/c1-7(6-22)19-12(23)8-5-21(20-10(8)13(15,16)17)11-9(14)3-2-4-18-11/h2-5,7,22H,6H2,1H3,(H,19,23)
InChIKeyCIZSPBXNTRZJMW-UHFFFAOYSA-N
XLogP2.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-aminopropan-2-yl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 120505787
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
N-[4-bromo-2-(butan-2-ylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 163880383
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
1-methyl-3-(trifluoromethyl)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]pyrazole-4-carboxamide
CID 86832975
2-[2-[3-[[4,5-bis(trifluoromethyl)triazol-2-yl]methyl]-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-2-oxoethyl]-5-chloro-3-methyl-N-propan-2-ylbenzamide
CID 58507206
N-[1-(4-acetylphenoxy)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 44542541
3-amino-2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 69097813
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
N-[4-chloro-2-methyl-6-[1-(methylsulfonimidoyl)propan-2-ylcarbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59743161
N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 59579870

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 141466672) is 1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(CO)NC(=O)c1cn(-c2ncccc2Cl)nc1C(F)(F)F.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CIZSPBXNTRZJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4O2/c1-7(6-22)19-12(23)8-5-21(20-10(8)13(15,16)17)11-9(14)3-2-4-18-11/h2-5,7,22H,6H2,1H3,(H,19,23).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 348.71 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 141466672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).