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CAS 128694-71-3

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4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

Description:
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is a heterocyclic organic compound characterized by its pyrazole ring structure, which includes a carboxylic acid functional group and a trifluoromethyl substituent. The presence of the chlorine atom and the trifluoromethyl group contributes to its unique chemical properties, including increased lipophilicity and potential biological activity. This compound is typically a solid at room temperature and is soluble in polar organic solvents. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, and materials science, particularly due to the presence of the carboxylic acid, which can participate in various chemical reactions such as esterification and amidation. The trifluoromethyl group is known to enhance the metabolic stability of compounds, making it of interest in drug design. Additionally, the compound's reactivity can be influenced by the electron-withdrawing nature of the chlorine and trifluoromethyl groups, which can affect its interactions with biological targets.
Formula:C6H4ClF3N2O2
InChI:InChI=1S/C6H4ClF3N2O2/c1-12-3(5(13)14)2(7)4(11-12)6(8,9)10/h1H3,(H,13,14)
InChI key:InChIKey=JXWXOYNVUAWUIW-UHFFFAOYSA-N
SMILES:ClC=1C(C(F)(F)F)=NN(C)C1C(O)=O
Synonyms:
  • 1H-Pyrazole-5-carboxylic acid, 4-chloro-1-methyl-3-(trifluoromethyl)-
  • 4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
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