5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid
TL;DR: 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid (CAS 128455-63-0) is a chemical compound with molecular formula C6H4ClF3N2O2 and molecular weight 227.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
Also Known As: 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid, N-Butyl-N-propylamine, 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic Acid, BUTTPARK 99\18-36, 1H-Pyrazole-4-carboxylic acid, 5-chloro-1-methyl-3-(trifluoromethyl)-
| Molecular Formula | C6H4ClF3N2O2 |
|---|---|
| Molecular Weight | 227.99 g/mol |
| LogP | 1.7905 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.99133 |
| Heavy Atoms | 14 |
| Complexity | 385.16373 |
Chemical Identifiers
| CAS Number | 128455-63-0 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C(=O)O)Cl |
Product Overview
5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid (CAS 128455-63-0), with molecular formula C6H4ClF3N2O2 and molecular weight 227.99 g/mol. IUPAC: 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid.
Chemical Property Profile of 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid
Property Insights of 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid
The XLogP value of 1.7905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid. With a topological polar surface area (TPSA) of 55.12 Ų, 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-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 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid?
The CAS number of 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid is 128455-63-0.
What is the molecular formula of 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid?
The molecular formula of 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid is C6H4ClF3N2O2.
What is the molecular weight of 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid?
The molecular weight of 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid is 227.99 g/mol.
Where can I buy 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid?
You can request a quote for 5-Chloro-1-Methyl-3-(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 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1-Methyl-3-(Trifluoromethyl)-1H-Pyrazole-4-Carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.