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CAS 1421603-58-8

:

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

Description:
5-(Chlorodifluoromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is a synthetic organic compound characterized by its complex structure, which includes a pyrazole ring substituted with various fluorinated groups and a carboxylic acid functional group. The presence of the chlorodifluoromethyl and trifluoromethyl groups imparts significant lipophilicity and potential biological activity, making it of interest in pharmaceutical and agrochemical research. The compound's carboxylic acid functionality suggests it can participate in acid-base reactions and may exhibit solubility in polar solvents. Its unique combination of halogenated substituents may also influence its reactivity, stability, and interaction with biological targets. The compound's CAS number, 1421603-58-8, allows for precise identification in chemical databases and literature. Overall, this compound exemplifies the intricate design often employed in the development of novel chemical entities with potential applications in various fields, including medicinal chemistry and crop protection.
Formula:C7H4ClF5N2O2
InChI:InChI=1S/C7H4ClF5N2O2/c1-15-4(6(8,9)10)2(5(16)17)3(14-15)7(11,12)13/h1H3,(H,16,17)
InChI key:InChIKey=ABTGULRUPQHWNM-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C(Cl)(F)F)N(C)N=C1C(F)(F)F
Synonyms:
  • 5-(Chlorodifluoromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
  • 1H-Pyrazole-4-carboxylic acid, 5-(chlorodifluoromethyl)-1-methyl-3-(trifluoromethyl)-
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