N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide

C23H18N4O2 — CID 1287754

IUPACN-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C23H18N4O2/c1-16(28)17-7-9-19(10-8-17)25-23(29)21-15-27(20-5-3-2-4-6-20)26-22(21)18-11-13-24-14-12-18/h2-15H,1H3,(H,25,29)
InChIKeyFCUIRXAEFYQFJP-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.39
Rot. Bonds5

About N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide

N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 1287754) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID1287754
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C23H18N4O2/c1-16(28)17-7-9-19(10-8-17)25-23(29)21-15-27(20-5-3-2-4-6-20)26-22(21)18-11-13-24-14-12-18/h2-15H,1H3,(H,25,29)
InChIKeyFCUIRXAEFYQFJP-UHFFFAOYSA-N
XLogP4.39
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide (CID 1287754) is N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is FCUIRXAEFYQFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-16(28)17-7-9-19(10-8-17)25-23(29)21-15-27(20-5-3-2-4-6-20)26-22(21)18-11-13-24-14-12-18/h2-15H,1H3,(H,25,29).
What are the key properties of N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide?
N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 1287754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).