3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide

C13H14ClN3O2 — CID 78860717

IUPAC3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C13H14ClN3O2/c1-8(7-18)15-13(19)12-6-11(16-17-12)9-4-2-3-5-10(9)14/h2-6,8,18H,7H2,1H3,(H,15,19)(H,16,17)
InChIKeyCCDAXXCKQMQHEN-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.84
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78860717) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID78860717
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C13H14ClN3O2/c1-8(7-18)15-13(19)12-6-11(16-17-12)9-4-2-3-5-10(9)14/h2-6,8,18H,7H2,1H3,(H,15,19)(H,16,17)
InChIKeyCCDAXXCKQMQHEN-UHFFFAOYSA-N
XLogP1.84
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
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2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119211443
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
3-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-5-carboxamide
CID 91639398
3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide
CID 78862068
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
3-(2-chlorophenyl)-N-[(4,4-difluorocyclohexyl)methyl]-1H-pyrazole-5-carboxamide
CID 138992310
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119582352
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
CID 119401108
3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide (CID 78860717) is 3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide is CC(CO)NC(=O)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is CCDAXXCKQMQHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8(7-18)15-13(19)12-6-11(16-17-12)9-4-2-3-5-10(9)14/h2-6,8,18H,7H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78860717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).