Description

1-Acetyl-5-methyl-3-(trifluoromethyl)pyrazole (CAS No. 244214-00-4) is a high-purity heterocyclic compound with the molecular formula C₇H₇F₃N₂O. This specialized pyrazole derivative features an acetyl group at the 1-position and a trifluoromethyl group at the 3-position, offering unique reactivity for advanced synthetic applications. With an IUPAC name of 1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone, it is supplied as a research-grade chemical with ≥95% purity (HPLC) and undergoes rigorous QC testing including NMR and LC-MS characterization. Ideal for medicinal chemistry, agrochemical research, and fluorinated building block synthesis. Packaged under inert gas in amber glass vials with certificate of analysis.

Properties

• CAS Number: 244214-00-4
• Complexity: 216
• IUPAC Name: 1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
• InChI: InChI=1S/C7H7F3N2O/c1-4-3-6(7(8,9)10)11-12(4)5(2)13/h3H,1-2H3
• InChI Key: VLFSEIYWMBKMHO-UHFFFAOYSA-N
• Exact Mass: 192.05104734
• Molecular Formula: C7H7F3N2O
• Molecular Weight: 192.14
• SMILES: CC1=CC(=NN1C(=O)C)C(F)(F)F
• Topological: 34.9
• Monoisotopic Mass: 192.05104734
• Synonyms: 959573-03-6, 1-acetyl-5-methyl-3-(trifluoromethyl)pyrazole, 1-Acetyl-5(3)-methyl-3(5)-(trifluoromethyl)pyrazole, 244214-00-4, 1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-Acetyl-3(5)-trifluoromethyl-5(3)-(methyl)pyrazole, 1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one, 1-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone, 1-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-one, MFCD00153637, VLFSEIYWMBKMHO-UHFFFAOYSA-N, SBB091383, AKOS006228630, PS-6910, CS-0321610

Application

This trifluoromethylpyrazole derivative serves as a versatile intermediate in pharmaceutical development, particularly for designing bioactive molecules with enhanced metabolic stability. The compound’s electron-withdrawing trifluoromethyl group enables participation in nucleophilic aromatic substitution reactions. Researchers utilize it in heterocycle diversification for drug discovery programs targeting kinase inhibition. Its structural features also make it valuable for agrochemical applications as a precursor for crop protection agents.

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