1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
TL;DR: 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester (CAS 299405-24-6) is a chemical compound with molecular formula C9H11F3N2O2 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
Also Known As: ethyl [5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate, TimTec1_000231, ethyl 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate, BAS 00318658, ethyl 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
| Molecular Formula | C9H11F3N2O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.07726 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 299405-24-6 |
|---|---|
| SMILES | CCOC(=O)CN1C(=CC(=N1)C(F)(F)F)C |
| InChIKey | OYQJSLHHRPECLL-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester (CAS 299405-24-6), with molecular formula C9H11F3N2O2 and molecular weight 236.08 g/mol. IUPAC: ethyl 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate.
Chemical Property Profile of 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
Property Insights of 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester. With a topological polar surface area (TPSA) of 44.1 Ų, 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester has 0 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 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester?
The CAS number of 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester is 299405-24-6.
What is the molecular formula of 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester?
The molecular formula of 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester is C9H11F3N2O2.
What is the molecular weight of 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester?
The molecular weight of 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester is 236.08 g/mol.
Where can I buy 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester?
You can request a quote for 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.