3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
TL;DR: 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS 380910-52-1) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylic acid
Also Known As: 3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid, 1-Phenyl-3-p-tolyl-1H-pyrazole-4-carboxylic acid, 1-Phenyl-3-(p-tolyl)-1H-pyrazole-4-carboxylic acid, 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylic acid, 1-phenyl-3-(p-tolyl)pyrazol-4-carboxylic acid
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 3.54592 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 774.30963 |
Chemical Identifiers
| CAS Number | 380910-52-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3 |
Product Overview
3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS 380910-52-1), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylic acid.
Chemical Property Profile of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
Property Insights of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 3.54592 indicates that 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is 380910-52-1.
What is the molecular formula of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is C17H14N2O2.
What is the molecular weight of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid is 278.11 g/mol.
Where can I buy 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.