CAS 956204-53-8

4-Methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

Description:

4-Methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety substituted with a methoxy group and a pyrazole derivative. The presence of the methoxy group enhances its solubility and can influence its reactivity and biological activity. The nitro group on the pyrazole ring is known for its electron-withdrawing properties, which can affect the compound's overall electronic characteristics and potential interactions with biological targets. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry. Its molecular structure suggests potential applications in drug development, particularly in areas requiring compounds with specific interactions due to the presence of both the carboxylic acid and the nitro-substituted pyrazole. Additionally, the compound's stability, solubility, and reactivity can be influenced by environmental factors such as pH and temperature, which are important considerations in both laboratory and therapeutic contexts.

Formula: C₁₂H₁₁N₃O₅

InChI: InChI=1S/C12H11N3O5/c1-20-11-3-2-8(12(16)17)4-9(11)6-14-7-10(5-13-14)15(18)19/h2-5,7H,6H2,1H3,(H,16,17)

InChI key: InChIKey=SMTTWBNEGXXXDN-UHFFFAOYSA-N

SMILES: C(C1=C(OC)C=CC(C(O)=O)=C1)N2C=C(N(=O)=O)C=N2

Synonyms:

• Benzoic acid, 4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-
• 4-Methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

4-Methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoic acid

CAS: 956204-53-8

Versatile small molecule scaffold

Formula: C₁₂H₁₁N₃O₅

Purity: Min. 95%

Molecular weight: 277.23 g/mol

Ref: 3D-GNB20453