CAS 1328640-37-4

5-Nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid

Description:

5-Nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-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 nitro group at the 5-position and a carboxylic acid group at the 3-position contributes to its reactivity and potential applications in various chemical reactions. The trifluoroethyl substituent at the 1-position enhances the compound's lipophilicity and may influence its biological activity. This compound is typically used in research and development, particularly in the fields of medicinal chemistry and agrochemicals, due to its unique structural features that may impart specific pharmacological properties. Its stability, solubility, and reactivity can vary based on environmental conditions, making it important to consider these factors in practical applications. Safety data and handling precautions should be observed, as with any chemical substance, to mitigate risks associated with its use.

Formula: C₆H₄F₃N₃O₄

InChI: InChI=1S/C6H4F3N3O4/c7-6(8,9)2-11-4(12(15)16)1-3(10-11)5(13)14/h1H,2H2,(H,13,14)

InChI key: InChIKey=FMMIKTKCCZXOCC-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)N1C(N(=O)=O)=CC(C(O)=O)=N1

Synonyms:

• 5-Nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 5-nitro-1-(2,2,2-trifluoroethyl)-