3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid
TL;DR: 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid (CAS 618102-33-3) is a chemical compound with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxylic acid
Also Known As: 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid, 5-(4-chlorophenyl)-2-phenylpyrazole-3-carboxylic acid, 3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxylic acid, 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylic Acid, 5-(4-CHLORO-PHENYL)-2-PHENYL-2H-PYRAZOLE-3-CARBOXYLICACID
| Molecular Formula | C16H11ClN2O2 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 3.8909 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0509 |
| Heavy Atoms | 21 |
| Complexity | 779.7965 |
Chemical Identifiers
| CAS Number | 618102-33-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O |
Product Overview
3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid (CAS 618102-33-3), with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol. IUPAC: 3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxylic acid.
Chemical Property Profile of 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid
Property Insights of 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 3.8909 indicates that 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-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-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-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-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid is 618102-33-3.
What is the molecular formula of 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid is C16H11ClN2O2.
What is the molecular weight of 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid is 298.05 g/mol.
Where can I buy 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-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-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.