CAS 1245772-43-3

1-Methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole

Description:

1-Methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The presence of a methyl group at the 1-position and a nitro group at the 4-position contributes to its reactivity and potential applications in various chemical reactions. The trifluoromethyl group at the 5-position enhances its lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry and agrochemical research. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique combination of functional groups suggests potential uses in the synthesis of more complex molecules or as an intermediate in the development of pharmaceuticals. Additionally, the presence of the nitro and trifluoromethyl groups may impart specific electronic properties, affecting its reactivity and interactions with other chemical species. Safety and handling precautions should be observed due to the potential toxicity associated with nitro compounds.

Formula: C₅H₄F₃N₃O₂

InChI: InChI=1S/C5H4F3N3O2/c1-10-4(5(6,7)8)3(2-9-10)11(12)13/h2H,1H3

InChI key: InChIKey=HGZQFYYNFDAELV-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(N(=O)=O)C=NN1C

Synonyms:

• 1H-Pyrazole, 1-methyl-4-nitro-5-(trifluoromethyl)-
• 1-Methyl-4-nitro-5-(trifluoromethyl)-1H-pyrazole