1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide

C23H20N4O — CID 78775903

IUPAC1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1
InChIInChI=1S/C23H20N4O/c1-17(18-12-14-24-15-13-18)25-23(28)21-16-27(20-10-6-3-7-11-20)26-22(21)19-8-4-2-5-9-19/h2-17H,1H3,(H,25,28)
InChIKeyQGGLKLNGMWBISP-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.43
Rot. Bonds5

About 1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide

1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide (PubChem CID 78775903) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
PubChem CID78775903
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1
InChIInChI=1S/C23H20N4O/c1-17(18-12-14-24-15-13-18)25-23(28)21-16-27(20-10-6-3-7-11-20)26-22(21)19-8-4-2-5-9-19/h2-17H,1H3,(H,25,28)
InChIKeyQGGLKLNGMWBISP-UHFFFAOYSA-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

N-[1-(4-methylsulfanylphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46432603
1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 97088156
N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 9481788
1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 41259195
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 9227685
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
CID 46917889
N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281297
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide (CID 78775903) is 1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide is CC(NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1.
What is the InChIKey of 1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide?
The InChIKey is QGGLKLNGMWBISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-17(18-12-14-24-15-13-18)25-23(28)21-16-27(20-10-6-3-7-11-20)26-22(21)19-8-4-2-5-9-19/h2-17H,1H3,(H,25,28).
What are the key properties of 1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide?
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-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-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78775903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).