CAS 1350443-44-5

Methyl 4-bromo-5-(2,4-difluorophenyl)-1H-pyrazole-3-carboxylate

Description:

Methyl 4-bromo-5-(2,4-difluorophenyl)-1H-pyrazole-3-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 4-position and a 2,4-difluorophenyl group at the 5-position contributes to its unique reactivity and potential biological activity. The carboxylate functional group, specifically the methyl ester at the 3-position, enhances its solubility and reactivity, making it a valuable intermediate in organic synthesis. This compound may exhibit interesting pharmacological properties due to its structural features, which can influence interactions with biological targets. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. Additionally, the presence of halogen substituents can affect the compound's electronic properties and lipophilicity, which are critical factors in drug design. Overall, Methyl 4-bromo-5-(2,4-difluorophenyl)-1H-pyrazole-3-carboxylate is a compound of interest in both synthetic and medicinal chemistry.

Formula: C₁₁H₇BrF₂N₂O₂

InChI: InChI=1S/C11H7BrF2N2O2/c1-18-11(17)10-8(12)9(15-16-10)6-3-2-5(13)4-7(6)14/h2-4H,1H3,(H,15,16)

InChI key: InChIKey=YCGQJXKURODWNV-UHFFFAOYSA-N

SMILES: BrC1=C(NN=C1C(OC)=O)C2=C(F)C=C(F)C=C2

Synonyms:

• Methyl 4-bromo-5-(2,4-difluorophenyl)-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 4-bromo-5-(2,4-difluorophenyl)-, methyl ester