CAS 1004643-50-8

4-(Dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)-3-buten-2-one

Description:

4-(Dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)-3-buten-2-one, identified by its CAS number 1004643-50-8, is a chemical compound characterized by its unique structural features, including a butenone backbone and a dimethylamino group. This compound contains a nitro-substituted pyrazole moiety, which contributes to its potential reactivity and biological activity. Typically, compounds of this nature may exhibit properties such as moderate solubility in organic solvents and varying stability depending on environmental conditions. The presence of both electron-donating (dimethylamino) and electron-withdrawing (nitro) groups can influence its electronic properties, making it of interest in various fields, including medicinal chemistry and materials science. Additionally, the compound may participate in various chemical reactions, such as nucleophilic substitutions or cycloadditions, due to the presence of reactive functional groups. Its specific applications and behavior would depend on further empirical studies and characterization under different conditions.

Formula: C₉H₁₂N₄O₃

InChI: InChI=1S/C9H12N4O3/c1-7(14)9(6-11(2)3)12-5-8(4-10-12)13(15)16/h4-6H,1-3H3

InChI key: InChIKey=SOQHARUVJGBKTK-UHFFFAOYSA-N

SMILES: C(=CN(C)C)(C(C)=O)N1C=C(N(=O)=O)C=N1

Synonyms:

• 4-(Dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)-3-buten-2-one
• 3-Buten-2-one, 4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)-