1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide

C17H15ClN4O — CID 94813569

IUPAC1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1cccnc1
InChIInChI=1S/C17H15ClN4O/c1-12(13-5-4-8-19-9-13)21-17(23)14-10-20-22(11-14)16-7-3-2-6-15(16)18/h2-12H,1H3,(H,21,23)/t12-/m1/s1
InChIKeyXKFUEYTUFVYEJM-GFCCVEGCSA-N
MW326.79 g/mol
LogP3.41
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide

1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide (PubChem CID 94813569) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
PubChem CID94813569
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1cccnc1
InChIInChI=1S/C17H15ClN4O/c1-12(13-5-4-8-19-9-13)21-17(23)14-10-20-22(11-14)16-7-3-2-6-15(16)18/h2-12H,1H3,(H,21,23)/t12-/m1/s1
InChIKeyXKFUEYTUFVYEJM-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

1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 51647994
1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 49163632
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 52513898
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide
CID 63660235
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide (CID 94813569) is 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide is C[C@@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1cccnc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide?
The InChIKey is XKFUEYTUFVYEJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12(13-5-4-8-19-9-13)21-17(23)14-10-20-22(11-14)16-7-3-2-6-15(16)18/h2-12H,1H3,(H,21,23)/t12-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-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-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 94813569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).