2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid

C24H20N2O2 — CID 20542749

IUPAC2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
SMILESCc1ccc(-n2nc(-c3ccccc3)c(CC(=O)O)c2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c1-17-12-14-20(15-13-17)26-24(19-10-6-3-7-11-19)21(16-22(27)28)23(25-26)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,27,28)
InChIKeyODRHWFDQYOHVDC-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.14
Rot. Bonds5

About 2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid

2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid (PubChem CID 20542749) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
PubChem CID20542749
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
SMILESCc1ccc(-n2nc(-c3ccccc3)c(CC(=O)O)c2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c1-17-12-14-20(15-13-17)26-24(19-10-6-3-7-11-19)21(16-22(27)28)23(25-26)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,27,28)
InChIKeyODRHWFDQYOHVDC-UHFFFAOYSA-N
XLogP5.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic 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-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid (CID 20542749) is 2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid is Cc1ccc(-n2nc(-c3ccccc3)c(CC(=O)O)c2-c2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid?
The InChIKey is ODRHWFDQYOHVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-17-12-14-20(15-13-17)26-24(19-10-6-3-7-11-19)21(16-22(27)28)23(25-26)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,27,28).
What are the key properties of 2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid?
2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid has a molecular weight of 368.44 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 20542749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).