CAS 1002535-10-5

3,5-Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate

Description:

3,5-Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate is a chemical compound characterized by its pyrazole core, which features two ethyl groups and a methyl group, along with a nitro substituent and two carboxylate ester functionalities. This compound typically exhibits a yellow to orange crystalline appearance and is soluble in organic solvents, reflecting its moderate polarity due to the presence of both hydrophobic ethyl groups and polar functional groups. The nitro group contributes to its potential reactivity, particularly in electrophilic substitution reactions. As a dicarboxylate, it can participate in various chemical transformations, making it useful in synthetic organic chemistry. The compound may also exhibit biological activity, which is of interest in pharmaceutical research. Safety data should be consulted for handling, as nitro compounds can be sensitive to heat and shock. Overall, 3,5-Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate is a versatile compound with applications in both research and industry.

Formula: C₁₀H₁₃N₃O₆

InChI: InChI=1S/C10H13N3O6/c1-4-18-9(14)6-7(13(16)17)8(12(3)11-6)10(15)19-5-2/h4-5H2,1-3H3

InChI key: InChIKey=DQKQBGQCFAUBHF-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1C(C(OCC)=O)=NN(C)C1C(OCC)=O

Synonyms:

• 3,5-Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate
• 1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-4-nitro-, 3,5-diethyl ester