3-苯基-1H-吡唑-5-甲酸
TL;DR: 3-苯基-1H-吡唑-5-甲酸 (CAS 5071-61-4) 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.
3-苯基-1H-吡唑-5-甲酸
3-phenyl-1H-pyrazole-5-carboxylic acid
Also Known As: 3-phenyl-1H-pyrazole-5-carboxylic acid, 5-Phenyl-1H-pyrazole-3-carboxylic acid, 3-Phenylpyrazole-5-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 5-phenyl-, Pyrazole-5-carboxylic acid, 3-phenyl-
| Molecular Formula | C10H8N2O2 |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05858 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 5071-61-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C(=O)O |
| InChIKey | QBPUOAJBMXXBNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基-1H-吡唑-5-甲酸 (CAS 5071-61-4), with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol. IUPAC: 3-phenyl-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 3-苯基-1H-吡唑-5-甲酸
Property Insights of 3-苯基-1H-吡唑-5-甲酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯基-1H-吡唑-5-甲酸. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-苯基-1H-吡唑-5-甲酸. Following Lipinski's Rule of Five, 3-苯基-1H-吡唑-5-甲酸 has 2 hydrogen bond donor(s) and 3 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-苯基-1H-吡唑-5-甲酸?
The CAS number of 3-苯基-1H-吡唑-5-甲酸 is 5071-61-4.
What is the molecular formula of 3-苯基-1H-吡唑-5-甲酸?
The molecular formula of 3-苯基-1H-吡唑-5-甲酸 is C10H8N2O2.
What is the molecular weight of 3-苯基-1H-吡唑-5-甲酸?
The molecular weight of 3-苯基-1H-吡唑-5-甲酸 is 188.06 g/mol.
Where can I buy 3-苯基-1H-吡唑-5-甲酸?
You can request a quote for 3-苯基-1H-吡唑-5-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基-1H-吡唑-5-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基-1H-吡唑-5-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.