CAS 1328640-38-5

4-Bromo-1-(1-methylethyl)-1H-pyrazole-3-acetic acid

Description:

4-Bromo-1-(1-methylethyl)-1H-pyrazole-3-acetic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of a bromine atom at the 4-position and an isopropyl group at the 1-position contributes to its unique properties. This compound features an acetic acid functional group at the 3-position, which imparts acidic characteristics. It is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid group. The compound's structure suggests potential biological activity, making it of interest in pharmaceutical research. Its molecular interactions may involve hydrogen bonding and hydrophobic interactions, influenced by the bromine and isopropyl substituents. As with many pyrazole derivatives, it may exhibit various chemical reactivities, including potential for substitution reactions or coordination with metal ions. Safety data and handling precautions should be observed, as with any chemical substance, particularly those with halogen substituents.

Formula: C₈H₁₁BrN₂O₂

InChI: InChI=1S/C8H11BrN2O2/c1-5(2)11-4-6(9)7(10-11)3-8(12)13/h4-5H,3H2,1-2H3,(H,12,13)

InChI key: InChIKey=HUAMIBVQIPZRTH-UHFFFAOYSA-N

SMILES: C(C(O)=O)C1=NN(C(C)C)C=C1Br

Synonyms:

• 1H-Pyrazole-3-acetic acid, 4-bromo-1-(1-methylethyl)-
• 4-Bromo-1-(1-methylethyl)-1H-pyrazole-3-acetic acid

2-[4-Bromo-1-(propan-2-yl)-1H-pyrazol-3-yl]acetic acid

CAS: 1328640-38-5

Versatile small molecule scaffold

Formula: C₈H₁₁BrN₂O₂

Purity: Min. 95%

Molecular weight: 247.09 g/mol

Ref: 3D-DDC64038