Description

1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazole (CAS No. 231947-19-6) is a high-purity heterocyclic compound with the molecular formula C₁₂H₉F₃N₂O. This specialized chemical features a pyrazole core substituted with a benzoyl group at the 1-position, a methyl group at the 5-position, and a trifluoromethyl group at the 3-position, offering unique reactivity and stability for advanced synthetic applications. Its IUPAC name is [5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone. Ideal for pharmaceutical intermediates, agrochemical research, and material science, this compound is rigorously tested via HPLC, GC/MS, and NMR to ensure ≥95% purity. Packaged under inert gas in amber glass vials to prevent degradation. Available in quantities from 100mg to 10g with custom bulk options.

Properties

• CAS Number: 231947-19-6
• Complexity: 313
• IUPAC Name: [5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-phenyl-methanone
• InChI: InChI=1S/C12H9F3N2O/c1-8-7-10(12(13,14)15)16-17(8)11(18)9-5-3-2-4-6-9/h2-7H,1H3
• InChI Key: KOYQRASDYYHQSU-UHFFFAOYSA-N
• Exact Mass: 254.06669740
• Molecular Formula: C12H9F3N2O
• Molecular Weight: 254.21
• SMILES: CC1=CC(=NN1C(=O)C2=CC=CC=C2)C(F)(F)F
• Topological: 34.9
• Monoisotopic Mass: 254.06669740
• Synonyms: 1-Benzoyl-5-methyl-3-(trifluoromethyl)pyrazole, 231947-19-6, 1-Benzoyl-5(3)-methyl-3(5)-(trifluoromethyl)pyrazole, [5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone, 1-benzoyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole, SCHEMBL4349779, KOYQRASDYYHQSU-UHFFFAOYSA-N, MFCD00153650, SBB101386, AKOS007930691, 5-methyl-3-(trifluoromethyl)pyrazolyl phenyl ketone, 1-BENZOYL-3(5)-TRIFLUOROMETHYL-5(3)-(METHYL)PYRAZOLE

Application

This compound serves as a versatile building block in medicinal chemistry for designing kinase inhibitors and bioactive molecules due to its trifluoromethyl-pyrazole scaffold. It is also employed in agrochemical research for developing novel pesticides with enhanced metabolic stability. The benzoyl group facilitates further functionalization via cross-coupling or nucleophilic substitution reactions.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.