CAS 1426958-46-4

1-(3-Methylbutyl)-3-(trifluoromethyl)-1H-pyrazole

Description:

1-(3-Methylbutyl)-3-(trifluoromethyl)-1H-pyrazole is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a trifluoromethyl group (-CF3) at one position of the pyrazole ring significantly influences its chemical properties, enhancing its lipophilicity and potentially its biological activity. The 3-methylbutyl substituent contributes to the compound's steric bulk and hydrophobic characteristics. This compound is likely to exhibit unique reactivity due to the electron-withdrawing nature of the trifluoromethyl group, which can affect nucleophilicity and electrophilicity in reactions. Additionally, the presence of multiple functional groups may allow for various interactions in biological systems, making it of interest in medicinal chemistry and agrochemical applications. Its specific physical properties, such as melting point, boiling point, and solubility, would need to be determined experimentally, as they can vary based on the compound's purity and environmental conditions.

Formula: C₉H₁₃F₃N₂

InChI: InChI=1S/C9H13F3N2/c1-7(2)3-5-14-6-4-8(13-14)9(10,11)12/h4,6-7H,3,5H2,1-2H3

InChI key: InChIKey=JWCMPBUFQYDICU-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=NN(CCC(C)C)C=C1

Synonyms:

• 1-(3-Methylbutyl)-3-(trifluoromethyl)-1H-pyrazole
• 1H-Pyrazole, 1-(3-methylbutyl)-3-(trifluoromethyl)-
• 1-(3-Methylbutyl)-3-(trifluoroMethyl)pyrazole