CAS 491831-82-4

3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

Description:

3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid, with the CAS number 491831-82-4, is a chemical compound characterized by its unique structure that combines a benzoic acid moiety with a pyrazole derivative. This compound features a benzoic acid group, which contributes to its acidity and potential for forming salts or esters. The presence of the 5-methyl-3-nitro-1H-pyrazole group introduces both electron-withdrawing and electron-donating characteristics, influencing its reactivity and solubility. The nitro group is known for its strong electron-withdrawing properties, which can enhance the compound's reactivity in various chemical reactions. Additionally, the methyl group can affect the steric and electronic properties of the molecule. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its solubility, stability, and reactivity can vary depending on the solvent and conditions, which are important factors for its application in synthesis or as a potential drug candidate.

Formula: C₁₂H₁₁N₃O₄

InChI: InChI=1/C12H11N3O4/c1-8-5-11(15(18)19)13-14(8)7-9-3-2-4-10(6-9)12(16)17/h2-6H,7H2,1H3,(H,16,17)

SMILES: Cc1cc(nn1Cc1cccc(c1)C(=O)O)N(=O)=O

Synonyms:

• 3-({3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)benzoicacid
• benzoic acid, 3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-

3-[(5-Methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid

CAS: 491831-82-4

Versatile small molecule scaffold

Formula: C₁₂H₁₁N₃O₄

Purity: Min. 95%

Molecular weight: 261.23 g/mol

Ref: 3D-RUA83182