1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
TL;DR: 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 98534-81-7) is a chemical compound with molecular formula C11H7F3N2O2 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
Also Known As: 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Maybridge1_003788, 1-phenyl-5-trifluoromethyl-1h-pyrazole-4-carboxylic acid, 5-chloro-2,4-difluorobenzenesulfonyl chloride
| Molecular Formula | C11H7F3N2O2 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.04596 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 98534-81-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F |
| InChIKey | SMPJBTIFNUUWGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 98534-81-7), with molecular formula C11H7F3N2O2 and molecular weight 256.05 g/mol. IUPAC: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
Chemical Property Profile of 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Property Insights of 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 6 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 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is 98534-81-7.
What is the molecular formula of 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is C11H7F3N2O2.
What is the molecular weight of 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is 256.05 g/mol.
Where can I buy 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-phenyl-5-(trifluoromethyl)-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 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.