CAS 790661-64-2

3-(4-Nitrophenyl)-4-(trifluoromethyl)-1H-pyrazole

Description:

3-(4-Nitrophenyl)-4-(trifluoromethyl)-1H-pyrazole is an organic compound characterized by its pyrazole core, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of a nitrophenyl group at the 3-position and a trifluoromethyl group at the 4-position significantly influences its chemical properties and reactivity. This compound typically exhibits a yellow crystalline appearance and is known for its potential applications in pharmaceuticals and agrochemicals due to its biological activity. The nitro group is a strong electron-withdrawing substituent, which can enhance the compound's reactivity in electrophilic aromatic substitution reactions. The trifluoromethyl group also contributes to the lipophilicity and metabolic stability of the molecule. Additionally, this compound may exhibit interesting optical and electronic properties, making it a subject of interest in materials science. Safety data should be consulted for handling, as compounds with nitro and trifluoromethyl groups can pose specific health and environmental risks.

Formula: C₁₀H₆F₃N₃O₂

InChI: InChI=1S/C10H6F3N3O2/c11-10(12,13)8-5-14-15-9(8)6-1-3-7(4-2-6)16(17)18/h1-5H,(H,14,15)

InChI key: InChIKey=FKHZRLOLGXOAPV-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C(=NNC1)C2=CC=C(N(=O)=O)C=C2

Synonyms:

• 1H-Pyrazole, 3-(4-nitrophenyl)-4-(trifluoromethyl)-
• 3-(4-Nitrophenyl)-4-(trifluoromethyl)-1H-pyrazole