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CAS 129768-28-1

:

3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid

Description:
3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. The presence of a trifluoromethyl group (-CF3) at the 3-position significantly influences its chemical properties, enhancing its lipophilicity and potentially its biological activity. The carboxylic acid functional group at the 5-position contributes to its acidity and reactivity, making it a versatile intermediate in organic synthesis. This compound is often utilized in the development of agrochemicals and pharmaceuticals due to its ability to act as a building block for more complex molecules. Its unique electronic properties, derived from the trifluoromethyl group, can also affect its interaction with biological targets. Additionally, the compound's stability and solubility in various solvents make it suitable for a range of applications in chemical research and development. Safety data should be consulted for handling, as the trifluoromethyl group can impart specific hazards associated with fluorinated compounds.
Formula:C5H3F3N2O2
InChI:InChI=1S/C5H3F3N2O2/c6-5(7,8)3-1-2(4(11)12)9-10-3/h1H,(H,9,10)(H,11,12)
InChI key:InChIKey=CIVNBJPTGRMGRS-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(C(O)=O)=NN1
Synonyms:
  • 1H-Pyrazole-3-Carboxylicacid, 5-(Trifluoromethyl)-
  • 1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-
  • 3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
  • 5-Trifluoromethylpyrazole-3-carboxylic acid
  • In-E 8S72
  • 5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid
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