![1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone structure](/static/products/894/894526-50-2.png)
1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
TL;DR: 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone (CAS 894526-50-2) is a chemical compound with molecular formula C14H11F3N2O2 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
Also Known As: 1-[1-benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone, A2980/0125634, Ethanone, 1-(1-benzoyl-5-methyl-3-trifluoromethyl-1H-pyrazol-4-yl)-, 1-[1-BENZOYL-5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]ETHAN-1-ONE, 1-[5-methyl-1-(phenylcarbonyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
| Molecular Formula | C14H11F3N2O2 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.07727 |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 894526-50-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC=CC=C2)C(F)(F)F)C(=O)C |
| InChIKey | QAPSEDILQQYRIT-UHFFFAOYSA-N |
Product Overview
1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone (CAS 894526-50-2), with molecular formula C14H11F3N2O2 and molecular weight 296.08 g/mol. IUPAC: 1-[1-benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone.
Chemical Property Profile of 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
Property Insights of 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone. With a topological polar surface area (TPSA) of 52.0 Ų, 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone 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 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The CAS number of 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone is 894526-50-2.
What is the molecular formula of 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The molecular formula of 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone is C14H11F3N2O2.
What is the molecular weight of 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The molecular weight of 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone is 296.08 g/mol.
Where can I buy 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
You can request a quote for 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.