1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
TL;DR: 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 99994-22-6) is a chemical compound with molecular formula C11H6ClF3N2O2 and molecular weight 290.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
Also Known As: Mersalyl, 1-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid, 2-(4-Chlorophenyl)-3-(Trifluoromethyl)Pyrazole-4-Carboxylic Acid, Maybridge1_004008, Nitron(bicyclic compd.)
| Molecular Formula | C11H6ClF3N2O2 |
|---|---|
| Molecular Weight | 290.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.007 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 99994-22-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)C(F)(F)F)Cl |
| InChIKey | HSZJMDBOSZVDOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 99994-22-6), with molecular formula C11H6ClF3N2O2 and molecular weight 290.01 g/mol. IUPAC: 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
Chemical Property Profile of 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Property Insights of 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
The XLogP value of 3.0 indicates that 1-(4-Chlorophenyl)-5-(trifluoromethyl)-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 55.1 Ų, 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-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-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is 99994-22-6.
What is the molecular formula of 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is C11H6ClF3N2O2.
What is the molecular weight of 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is 290.01 g/mol.
Where can I buy 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-(4-Chlorophenyl)-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-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.