1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide

C23H20N4O — CID 40551886

IUPAC1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccncc1
InChIInChI=1S/C23H20N4O/c1-17(18-12-14-24-15-13-18)25-23(28)22-16-21(19-8-4-2-5-9-19)26-27(22)20-10-6-3-7-11-20/h2-17H,1H3,(H,25,28)/t17-/m1/s1
InChIKeyHEQICYRSERRMAJ-QGZVFWFLSA-N
MW368.44 g/mol
LogP4.43
Rot. Bonds5

About 1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide

1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide (PubChem CID 40551886) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
PubChem CID40551886
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccncc1
InChIInChI=1S/C23H20N4O/c1-17(18-12-14-24-15-13-18)25-23(28)22-16-21(19-8-4-2-5-9-19)26-27(22)20-10-6-3-7-11-20/h2-17H,1H3,(H,25,28)/t17-/m1/s1
InChIKeyHEQICYRSERRMAJ-QGZVFWFLSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 40551893
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267654
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267659
4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
CID 51148760
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7414159
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
3-(furan-2-yl)-1-(4-methylphenyl)-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 3692522
1,3-dimethyl-6-phenyl-N-(1-pyridin-4-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51322660

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide?
The IUPAC name of 1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide (CID 40551886) is 1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide is C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccncc1.
What is the InChIKey of 1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide?
The InChIKey is HEQICYRSERRMAJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H20N4O/c1-17(18-12-14-24-15-13-18)25-23(28)22-16-21(19-8-4-2-5-9-19)26-27(22)20-10-6-3-7-11-20/h2-17H,1H3,(H,25,28)/t17-/m1/s1.
What are the key properties of 1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide?
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 40551886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).