5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide

C23H20N4O — CID 51927508

IUPAC5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cnn1-c1ccccc1
InChIInChI=1S/C23H20N4O/c1-17-20(16-25-27(17)19-12-6-3-7-13-19)23(28)26-22(18-10-4-2-5-11-18)21-14-8-9-15-24-21/h2-16,22H,1H3,(H,26,28)/t22-/m0/s1
InChIKeyRYBQNTWMMQZVJX-QFIPXVFZSA-N
MW368.44 g/mol
LogP4.10
Rot. Bonds5

About 5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide

5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 51927508) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID51927508
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cnn1-c1ccccc1
InChIInChI=1S/C23H20N4O/c1-17-20(16-25-27(17)19-12-6-3-7-13-19)23(28)26-22(18-10-4-2-5-11-18)21-14-8-9-15-24-21/h2-16,22H,1H3,(H,26,28)/t22-/m0/s1
InChIKeyRYBQNTWMMQZVJX-QFIPXVFZSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 46554617
1-(4-fluorophenyl)-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46576724
2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 78779504
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34464052
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 108805316
N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 39677202
N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24625944
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 51927508) is 5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide is Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is RYBQNTWMMQZVJX-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20N4O/c1-17-20(16-25-27(17)19-12-6-3-7-13-19)23(28)26-22(18-10-4-2-5-11-18)21-14-8-9-15-24-21/h2-16,22H,1H3,(H,26,28)/t22-/m0/s1.
What are the key properties of 5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide?
5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51927508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).