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CAS 112055-35-3

:

ethyl 1-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Description:
Ethyl 1-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a trifluoromethyl group, which is known for its electron-withdrawing properties, enhancing the compound's lipophilicity and potentially influencing its biological activity. The presence of a 3-chlorophenyl substituent adds to its structural complexity and may affect its interaction with biological targets. As an ester, the ethyl group contributes to its solubility and stability. This compound is of interest in medicinal chemistry and agrochemicals, often investigated for its potential pharmacological properties. Its unique combination of functional groups may impart specific reactivity and selectivity in chemical reactions, making it a valuable subject for research in drug development and synthesis. Safety and handling precautions should be observed due to the presence of halogenated groups, which can pose environmental and health risks.
Formula:C13H10ClF3N2O2
InChI:InChI=1S/C13H10ClF3N2O2/c1-2-21-12(20)10-7-18-19(11(10)13(15,16)17)9-5-3-4-8(14)6-9/h3-7H,2H2,1H3
InChI key:InChIKey=JZQXJAWBBMSPDB-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1N(N=CC1C(OCC)=O)C2=CC(Cl)=CC=C2
Synonyms:
  • Ethyl 1-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
  • 1H-Pyrazole-4-carboxylic acid, 1-(3-chlorophenyl)-5-(trifluoromethyl)-, ethyl ester
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