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CAS 175137-38-9

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1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-(trifluoromethyl)-, ethyl ester

Description:
1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-(trifluoromethyl)-, ethyl ester, identified by CAS number 175137-38-9, is a chemical compound characterized by its pyrazole core, which is a five-membered heterocyclic ring containing two nitrogen atoms. This compound features a carboxylic acid functional group and an ethyl ester moiety, contributing to its reactivity and solubility properties. The presence of a 4-fluorophenyl group and a trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The trifluoromethyl group is known for its electron-withdrawing properties, which can affect the compound's acidity and overall stability. Additionally, the compound's structure suggests potential applications in medicinal chemistry, particularly in the development of agrochemicals or pharmaceuticals. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its properties can be further explored through various analytical methods such as NMR, IR spectroscopy, and mass spectrometry.
Formula:C13H10F4N2O2
InChI:InChI=1S/C13H10F4N2O2/c1-2-21-12(20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
InChI key:InChIKey=WTDWKMYSOQGLIX-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1N(N=CC1C(OCC)=O)C2=CC=C(F)C=C2
Synonyms:
  • 1-(4-Fluorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
  • 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-(trifluoromethyl)-, ethyl ester
  • 3-Amino-5-(4-Fluorophenyl)Thiophene-2-Carbonitrile
  • Ethyl 1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
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