CAS 1328640-85-2

1-Methyl-3-nitro-5-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazole

Description:

1-Methyl-3-nitro-5-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazole is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a methyl group at the 1-position and a nitro group at the 3-position contributes to its reactivity and potential applications in various chemical reactions. The 5-position features a side chain that includes a trifluoroethoxy group, which enhances the compound's lipophilicity and may influence its biological activity. This compound is likely to exhibit unique properties due to the trifluoromethyl group, known for its electron-withdrawing effects, which can affect the compound's stability and reactivity. Additionally, the presence of the nitro group may impart specific characteristics such as increased polarity and potential for hydrogen bonding. Overall, this compound's structure suggests it may be of interest in fields such as medicinal chemistry, agrochemicals, or materials science, where its unique functional groups can be leveraged for specific applications.

Formula: C₇H₈F₃N₃O₃

InChI: InChI=1S/C7H8F3N3O3/c1-12-5(2-6(11-12)13(14)15)3-16-4-7(8,9)10/h2H,3-4H2,1H3

InChI key: InChIKey=IJGSCKWAPDYYDI-UHFFFAOYSA-N

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

Synonyms:

• 1H-Pyrazole, 1-methyl-3-nitro-5-[(2,2,2-trifluoroethoxy)methyl]-
• 1-Methyl-3-nitro-5-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazole