CAS 1245227-19-3

Ethyl 5-bromo-1-(2-methylphenyl)-1H-pyrazole-4-carboxylate

Description:

Ethyl 5-bromo-1-(2-methylphenyl)-1H-pyrazole-4-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a bromine atom at the 5-position and an ethyl ester group at the 4-position contributes to its reactivity and solubility properties. The 1-(2-methylphenyl) substituent indicates that there is a 2-methylphenyl group attached to the pyrazole ring, which can influence the compound's biological activity and interactions. This compound is likely to exhibit moderate to high lipophilicity due to the aromatic and aliphatic components, making it suitable for various applications in medicinal chemistry and agrochemicals. Its structure suggests potential for diverse chemical reactions, including nucleophilic substitutions and coupling reactions, which are common in organic synthesis. Additionally, the presence of the carboxylate functional group may impart acidic properties, influencing its behavior in different pH environments. Overall, this compound's unique structural features make it a subject of interest in research and development.

Formula: C₁₃H₁₃BrN₂O₂

InChI: InChI=1S/C13H13BrN2O2/c1-3-18-13(17)10-8-15-16(12(10)14)11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3

InChI key: InChIKey=DNKGQDLNISFFMN-UHFFFAOYSA-N

SMILES: BrC=1N(N=CC1C(OCC)=O)C2=C(C)C=CC=C2

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(2-methylphenyl)-, ethyl ester
• Ethyl 5-bromo-1-(2-methylphenyl)-1H-pyrazole-4-carboxylate