CAS 321571-24-8

Methyl 3-(2,6-dichlorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-isoxazolecarboxylate

Description:

Methyl 3-(2,6-dichlorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-isoxazolecarboxylate is a synthetic organic compound characterized by its complex molecular structure, which includes multiple functional groups such as isoxazole, pyrazole, and various halogenated phenyl groups. This compound typically exhibits properties such as moderate to high lipophilicity due to the presence of aromatic rings and halogen substituents, which can influence its solubility in organic solvents. The presence of the isoxazole and pyrazole moieties suggests potential biological activity, possibly as a pharmaceutical agent, given their roles in various medicinal chemistry applications. Additionally, the dichlorophenyl and trifluoromethyl groups may enhance the compound's potency and selectivity in biological systems. Its molecular weight and specific reactivity can be influenced by the arrangement of these functional groups, making it a subject of interest in drug development and chemical research. Safety and handling precautions should be observed, as with many synthetic compounds, due to potential toxicity or environmental impact.

Formula: C₂₁H₁₁Cl₂F₄N₃O₃

InChI: InChI=1S/C21H11Cl2F4N3O3/c1-32-20(31)16-17(15-13(22)3-2-4-14(15)23)29-33-18(16)12-9-30(28-19(12)21(25,26)27)11-7-5-10(24)6-8-11/h2-9H,1H3

InChI key: InChIKey=OCGUYJQYTKLHEN-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(ON=C1C2=C(Cl)C=CC=C2Cl)C=3C(C(F)(F)F)=NN(C3)C4=CC=C(F)C=C4

Synonyms:

• 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-, methyl ester
• Methyl 3-(2,6-dichlorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-isoxazolecarboxylate