ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
TL;DR: ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate (CAS 1001519-11-4) is a chemical compound with molecular formula C9H11F3N2O2 and molecular weight 236.07726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxylate
Also Known As: ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate, ethyl 2-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylate, 2-Ethyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid ethyl ester, ethyl 1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxylate, ethyl1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
Technical Specifications
| Molecular Formula | C9H11F3N2O2 |
| Molecular Weight | 236.07726 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.07726 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | CCN1C(=CC(=N1)C(F)(F)F)C(=O)OCC |
| InChIKey | JXBLALWEXAHXNR-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
Property Insights of ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate. With a topological polar surface area (TPSA) of 44.1 Ų, ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate 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
What is the CAS number of ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate is 1001519-11-4.
What is the molecular formula of ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate is C9H11F3N2O2.
What is the molecular weight of ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate is 236.07726 g/mol.
Where can I buy ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.