4-(1H-Pyrazol-5-yl)benzoic acid
TL;DR: 4-(1H-Pyrazol-5-yl)benzoic acid (CAS 208511-67-5) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-pyrazol-5-yl)benzoic acid
Also Known As: 4-(1H-pyrazol-3-yl)benzoic acid, 4-(1H-pyrazol-5-yl)benzoic acid, null, 3-(4-Carboxyphenyl)pyrazole, Benzoic acid, 4-(1H-pyrazol-3-yl)-
| Molecular Formula | C10H8N2O2 |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 1.7749 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05858 |
| Heavy Atoms | 14 |
| Complexity | 431.65536 |
Chemical Identifiers
| CAS Number | 208511-67-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=NN2)C(=O)O |
Product Overview
4-(1H-Pyrazol-5-yl)benzoic acid (CAS 208511-67-5), with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol. IUPAC: 4-(1H-pyrazol-5-yl)benzoic acid.
Chemical Property Profile of 4-(1H-Pyrazol-5-yl)benzoic acid
Property Insights of 4-(1H-Pyrazol-5-yl)benzoic acid
The XLogP value of 1.7749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-Pyrazol-5-yl)benzoic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-Pyrazol-5-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(1H-Pyrazol-5-yl)benzoic acid has 2 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 4-(1H-Pyrazol-5-yl)benzoic acid?
The CAS number of 4-(1H-Pyrazol-5-yl)benzoic acid is 208511-67-5.
What is the molecular formula of 4-(1H-Pyrazol-5-yl)benzoic acid?
The molecular formula of 4-(1H-Pyrazol-5-yl)benzoic acid is C10H8N2O2.
What is the molecular weight of 4-(1H-Pyrazol-5-yl)benzoic acid?
The molecular weight of 4-(1H-Pyrazol-5-yl)benzoic acid is 188.06 g/mol.
Where can I buy 4-(1H-Pyrazol-5-yl)benzoic acid?
You can request a quote for 4-(1H-Pyrazol-5-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-Pyrazol-5-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-Pyrazol-5-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.