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CAS 1006348-77-1

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5-Cyclopropyl-α-ethyl-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid

Description:
5-Cyclopropyl-α-ethyl-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid is a chemical compound characterized by its unique structural features, including a pyrazole ring, a cyclopropyl group, and a trifluoromethyl substituent. The presence of the trifluoromethyl group often imparts significant lipophilicity and can enhance biological activity, making it of interest in pharmaceutical research. The α-ethyl group contributes to the compound's steric properties, potentially influencing its interaction with biological targets. This compound is likely to exhibit acidic behavior due to the carboxylic acid functional group, which can participate in hydrogen bonding and affect solubility in various solvents. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. Additionally, the presence of fluorine atoms can enhance metabolic stability and alter pharmacokinetic properties. Overall, 5-Cyclopropyl-α-ethyl-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid represents a complex molecule with promising characteristics for further investigation in chemical and biological contexts.
Formula:C11H13F3N2O2
InChI:InChI=1S/C11H13F3N2O2/c1-2-7(10(17)18)16-8(6-3-4-6)5-9(15-16)11(12,13)14/h5-7H,2-4H2,1H3,(H,17,18)
InChI key:InChIKey=BASBQNODNSGKMO-UHFFFAOYSA-N
SMILES:C(C(O)=O)(CC)N1C(=CC(C(F)(F)F)=N1)C2CC2
Synonyms:
  • 1H-Pyrazole-1-acetic acid, 5-cyclopropyl-α-ethyl-3-(trifluoromethyl)-
  • 2-(5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)butanoic acid
  • 5-Cyclopropyl-α-ethyl-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid
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