2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid

C25H22N2O2 — CID 67607174

IUPAC2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C25H22N2O2/c1-18-23(16-24(28)29)25(20-12-6-3-7-13-20)26-27(18)17-21-14-8-9-15-22(21)19-10-4-2-5-11-19/h2-15H,16-17H2,1H3,(H,28,29)
InChIKeyKJNFAKUSLQPRGP-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.20
Rot. Bonds6

About 2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid

2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid (PubChem CID 67607174) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid
PubChem CID67607174
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C25H22N2O2/c1-18-23(16-24(28)29)25(20-12-6-3-7-13-20)26-27(18)17-21-14-8-9-15-22(21)19-10-4-2-5-11-19/h2-15H,16-17H2,1H3,(H,28,29)
InChIKeyKJNFAKUSLQPRGP-UHFFFAOYSA-N
XLogP5.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-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-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid (CID 67607174) is 2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid is Cc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid?
The InChIKey is KJNFAKUSLQPRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-18-23(16-24(28)29)25(20-12-6-3-7-13-20)26-27(18)17-21-14-8-9-15-22(21)19-10-4-2-5-11-19/h2-15H,16-17H2,1H3,(H,28,29).
What are the key properties of 2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid?
2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid has a molecular weight of 382.46 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-phenyl-1-[(2-phenylphenyl)methyl]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 67607174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).