1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide

C13H13ClF2N4O2 — CID 139238101

IUPAC1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cn(-c2ncccc2Cl)nc1C(F)F
InChIInChI=1S/C13H13ClF2N4O2/c1-7(6-21)18-13(22)8-5-20(19-10(8)11(15)16)12-9(14)3-2-4-17-12/h2-5,7,11,21H,6H2,1H3,(H,18,22)/t7-/m0/s1
InChIKeyBAEFVECOAANGKP-ZETCQYMHSA-N
MW330.72 g/mol
LogP1.97
Rot. Bonds5

About 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide

1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide (PubChem CID 139238101) has the molecular formula C13H13ClF2N4O2 and a molecular weight of 330.72 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide
PubChem CID139238101
Molecular FormulaC13H13ClF2N4O2
Molecular Weight330.72 g/mol
Exact Mass330.07
IUPAC Name1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cn(-c2ncccc2Cl)nc1C(F)F
InChIInChI=1S/C13H13ClF2N4O2/c1-7(6-21)18-13(22)8-5-20(19-10(8)11(15)16)12-9(14)3-2-4-17-12/h2-5,7,11,21H,6H2,1H3,(H,18,22)/t7-/m0/s1
InChIKeyBAEFVECOAANGKP-ZETCQYMHSA-N
XLogP1.97
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-chloropyrazolo[1,5-a]pyridin-5-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 90155448
1-(3-chloropyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 50990496
5-tert-butyl-1-(5-chloro-2-pyridinyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162671780
1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 163256025
1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1474578
1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 35035539
5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 37489266
N-(3-chloro-4-fluorobenzyl)-6-(3-methyl-1H-pyrazol-1-yl)nicotinamide
CID 49665797
5-Chloro-6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxamide
CID 72136104
1-methyl-N-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 76316544
1-methyl-3-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 76320248
N-(5-chloro-2-pyridinyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 76323895

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide (CID 139238101) is 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide is C[C@@H](CO)NC(=O)c1cn(-c2ncccc2Cl)nc1C(F)F.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide?
The InChIKey is BAEFVECOAANGKP-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H13ClF2N4O2/c1-7(6-21)18-13(22)8-5-20(19-10(8)11(15)16)12-9(14)3-2-4-17-12/h2-5,7,11,21H,6H2,1H3,(H,18,22)/t7-/m0/s1.
What are the key properties of 1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide?
1-(3-chloro-2-pyridinyl)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide has a molecular weight of 330.72 g/mol, XLogP of 1.97, 5 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)-3-(difluoromethyl)-N-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 139238101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).