1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid

C17H14N2O2 — CID 750183

IUPAC1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O2/c1-12-7-9-14(10-8-12)19-16(11-15(18-19)17(20)21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChIKeyZQCKHZYYTPVCSB-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.55
Rot. Bonds3

About 1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid

1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid (PubChem CID 750183) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
PubChem CID750183
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O2/c1-12-7-9-14(10-8-12)19-16(11-15(18-19)17(20)21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChIKeyZQCKHZYYTPVCSB-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)-5-phenylpyrazole-3-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

Related Compounds

1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
5-(4-nitrophenyl)-1-phenylpyrazole-3-carboxylic acid
CID 2771356
1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide
CID 23992415
1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 22831933
1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid
CID 94962316
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
3-(bromomethyl)-1-(4-methylphenyl)-5-phenylpyrazole
CID 11404650
5-(4-carboxyphenyl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 118735617
5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 94962309
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
CID 14871128

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid (CID 750183) is 1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid is Cc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid?
The InChIKey is ZQCKHZYYTPVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-7-9-14(10-8-12)19-16(11-15(18-19)17(20)21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21).
What are the key properties of 1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid?
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 750183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).