![ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate structure](/static/products/849/849465-20-9.png)
ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate
TL;DR: ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate (CAS 849465-20-9) is a chemical compound with molecular formula C15H15F3N2O2 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylate
Also Known As: ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate, ethyl 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylate, ethyl 5-methyl-2-{[3-(trifluoromethyl)phenyl]methyl}pyrazole-3-carboxylate
| Molecular Formula | C15H15F3N2O2 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 3.43532 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.10855 |
| Heavy Atoms | 22 |
| Complexity | 677.66736 |
Chemical Identifiers
| CAS Number | 849465-20-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1CC2=CC(=CC=C2)C(F)(F)F)C |
Product Overview
ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate (CAS 849465-20-9), with molecular formula C15H15F3N2O2 and molecular weight 312.11 g/mol. IUPAC: ethyl 5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylate.
Chemical Property Profile of ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate
Property Insights of ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate
The XLogP value of 3.43532 indicates that ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-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 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate is 849465-20-9.
What is the molecular formula of ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate is C15H15F3N2O2.
What is the molecular weight of ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate is 312.11 g/mol.
Where can I buy ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.