1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide

C17H15ClN4O — CID 94677135

IUPAC1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccncc1
InChIInChI=1S/C17H15ClN4O/c1-12(13-5-8-19-9-6-13)20-17(23)16-7-10-22(21-16)15-4-2-3-14(18)11-15/h2-12H,1H3,(H,20,23)/t12-/m1/s1
InChIKeyXTLDXZYAORNQDV-GFCCVEGCSA-N
MW326.79 g/mol
LogP3.41
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide (PubChem CID 94677135) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide
PubChem CID94677135
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccncc1
InChIInChI=1S/C17H15ClN4O/c1-12(13-5-8-19-9-6-13)20-17(23)16-7-10-22(21-16)15-4-2-3-14(18)11-15/h2-12H,1H3,(H,20,23)/t12-/m1/s1
InChIKeyXTLDXZYAORNQDV-GFCCVEGCSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 43475412
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 79170438
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549037
N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 99811467
1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide
CID 60563144
1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55929884

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide (CID 94677135) is 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide is C[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccncc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide?
The InChIKey is XTLDXZYAORNQDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12(13-5-8-19-9-6-13)20-17(23)16-7-10-22(21-16)15-4-2-3-14(18)11-15/h2-12H,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 94677135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).