ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
TL;DR: ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 111493-74-4) is a chemical compound with molecular formula C8H9F3N2O2 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylate
Also Known As: ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, ethyl 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(trifluoromethyl)-, ethyl ester, Ethyl 2-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylicacid, 1-methyl-5-(trifluoromethyl)-, ethyl ester
| Molecular Formula | C8H9F3N2O2 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 1.6156 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.06161 |
| Heavy Atoms | 15 |
| Complexity | 370.45395 |
Chemical Identifiers
| CAS Number | 111493-74-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C)C(F)(F)F |
Product Overview
ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 111493-74-4), with molecular formula C8H9F3N2O2 and molecular weight 222.06 g/mol. IUPAC: ethyl 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylate.
Chemical Property Profile of ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Property Insights of ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
The XLogP value of 1.6156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate has 0 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 ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 111493-74-4.
What is the molecular formula of ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is C8H9F3N2O2.
What is the molecular weight of ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 222.06 g/mol.
Where can I buy ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.