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

C17H14N2O2 — CID 117446021

IUPAC3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)[nH]n2)cc1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-11-7-8-13(15-10-16(17(20)21)19-18-15)9-14(11)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyDHAXTUCTJCGGSG-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.75
Rot. Bonds3

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

3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117446021) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117446021
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)[nH]n2)cc1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-11-7-8-13(15-10-16(17(20)21)19-18-15)9-14(11)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyDHAXTUCTJCGGSG-UHFFFAOYSA-N
XLogP3.75
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-methyl-3-phenylphenyl)-1H-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

Related Compounds

3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117491617
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670
3-(4-methyl-3-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117449866
3-[3-(difluoromethyl)-4-methylphenyl]-1H-pyrazole-5-carboxylic acid
CID 117383202
3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid;ethane
CID 143798874
3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 82387523
3-(2-methyl-1-benzofuran-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117357206
3-(3-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419417
3-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111313
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
3-(2H-benzotriazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117329834

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117446021) is 3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)[nH]n2)cc1-c1ccccc1.
What is the InChIKey of 3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is DHAXTUCTJCGGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-7-8-13(15-10-16(17(20)21)19-18-15)9-14(11)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117446021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).