2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid

C23H19N3O3 — CID 135355438

IUPAC2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid
SMILESCc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C(=O)O)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-15-7-9-16(10-8-15)19-11-22(27)25(2)14-20(19)17-12-24-26(13-17)21-6-4-3-5-18(21)23(28)29/h3-14H,1-2H3,(H,28,29)
InChIKeyAZZCIYLJUMACED-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.91
Rot. Bonds4

About 2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid

2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid (PubChem CID 135355438) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid
PubChem CID135355438
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid
SMILESCc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C(=O)O)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-15-7-9-16(10-8-15)19-11-22(27)25(2)14-20(19)17-12-24-26(13-17)21-6-4-3-5-18(21)23(28)29/h3-14H,1-2H3,(H,28,29)
InChIKeyAZZCIYLJUMACED-UHFFFAOYSA-N
XLogP3.91
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid 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 2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid?
The IUPAC name of 2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid (CID 135355438) is 2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid?
The canonical SMILES for 2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid is Cc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3C(=O)O)c2)cc1.
What is the InChIKey of 2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid?
The InChIKey is AZZCIYLJUMACED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15-7-9-16(10-8-15)19-11-22(27)25(2)14-20(19)17-12-24-26(13-17)21-6-4-3-5-18(21)23(28)29/h3-14H,1-2H3,(H,28,29).
What are the key properties of 2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid?
2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid has a molecular weight of 385.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-methyl-4-(4-methylphenyl)-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 135355438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).