CAS 381214-35-3

3-[3-(3-Nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoic acid

Description:

3-[3-(3-Nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoic acid is a chemical compound characterized by its complex structure, which includes a pyrazole ring and a nitrophenyl group. This compound features a propenoic acid moiety, contributing to its potential reactivity and applications in organic synthesis. The presence of the nitro group indicates that it may exhibit unique electronic properties, influencing its reactivity and interactions with other molecules. The pyrazole ring is known for its biological activity, making this compound of interest in medicinal chemistry. Additionally, the compound's structure suggests potential applications in materials science or as a building block in the synthesis of more complex organic molecules. Its CAS number, 381214-35-3, allows for easy identification and retrieval of information regarding its properties, safety data, and potential uses in various fields, including pharmaceuticals and agrochemicals. Overall, this compound exemplifies the intricate relationship between molecular structure and chemical behavior.

Formula: C₁₈H₁₃N₃O₄

InChI: InChI=1S/C18H13N3O4/c22-17(23)10-9-14-12-20(15-6-2-1-3-7-15)19-18(14)13-5-4-8-16(11-13)21(24)25/h1-12H,(H,22,23)

InChI key: InChIKey=SXEMOKJMUGXOSV-UHFFFAOYSA-N

SMILES: C(=CC(O)=O)C=1C(=NN(C1)C2=CC=CC=C2)C3=CC(N(=O)=O)=CC=C3

Synonyms:

• 3-[3-(3-Nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoic acid
• 2-Propenoic acid, 3-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-

(2E)-3-[3-(3-Nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid

CAS: 381214-35-3

Versatile small molecule scaffold

Formula: C₁₈H₁₃N₃O₄

Purity: Min. 95%

Molecular weight: 335.3 g/mol

Ref: 3D-GQA21435