4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid

C18H16N2O3 — CID 58188444

IUPAC4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid
SMILESCOc1c(-c2ccc(-c3ccccc3)cc2)nn(C)c1C(=O)O
InChIInChI=1S/C18H16N2O3/c1-20-16(18(21)22)17(23-2)15(19-20)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22)
InChIKeyCWMNGEJKEPYJMY-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.46
Rot. Bonds4

About 4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid

4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid (PubChem CID 58188444) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid
PubChem CID58188444
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid
SMILESCOc1c(-c2ccc(-c3ccccc3)cc2)nn(C)c1C(=O)O
InChIInChI=1S/C18H16N2O3/c1-20-16(18(21)22)17(23-2)15(19-20)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22)
InChIKeyCWMNGEJKEPYJMY-UHFFFAOYSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic 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 4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid (CID 58188444) is 4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid is COc1c(-c2ccc(-c3ccccc3)cc2)nn(C)c1C(=O)O.
What is the InChIKey of 4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is CWMNGEJKEPYJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20-16(18(21)22)17(23-2)15(19-20)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22).
What are the key properties of 4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid?
4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 58188444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).