CAS 1399654-49-9

3-Bromo-1-(phenylmethyl)-1H-pyrazole-4-carboxylic acid

Description:

3-Bromo-1-(phenylmethyl)-1H-pyrazole-4-carboxylic acid 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 3-position and a phenylmethyl group at the 1-position contributes to its unique reactivity and potential applications in medicinal chemistry. The carboxylic acid functional group at the 4-position enhances its acidity and solubility in polar solvents, making it suitable for various chemical reactions and biological interactions. This compound may exhibit interesting pharmacological properties, potentially acting as an intermediate in the synthesis of more complex molecules or as a lead compound in drug discovery. Its structural features suggest it could participate in hydrogen bonding and other intermolecular interactions, influencing its behavior in biological systems. As with many pyrazole derivatives, it may also show activity against specific biological targets, warranting further investigation into its therapeutic potential.

Formula: C₁₁H₉BrN₂O₂

InChI: InChI=1S/C11H9BrN2O2/c12-10-9(11(15)16)7-14(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16)

InChI key: InChIKey=PZYITUYOMWORFU-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=CN(CC2=CC=CC=C2)N=C1Br

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 3-bromo-1-(phenylmethyl)-
• 3-Bromo-1-(phenylmethyl)-1H-pyrazole-4-carboxylic acid