CAS 1001500-72-6

1-[(4-Bromo-2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid

Description:

1-[(4-Bromo-2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its complex structure, which includes a pyrazole ring, a carboxylic acid functional group, and a phenoxy moiety substituted with bromine and chlorine. This compound typically exhibits properties associated with both the pyrazole and aromatic systems, such as potential biological activity and solubility characteristics influenced by the presence of halogen substituents. The bromine and chlorine atoms can enhance the compound's lipophilicity and may affect its reactivity and interaction with biological targets. The carboxylic acid group contributes to its acidity and potential for forming salts or esters. This compound may be of interest in pharmaceutical research due to its structural features, which could impart specific pharmacological properties. Additionally, its synthesis and characterization would involve standard organic chemistry techniques, including purification methods such as crystallization or chromatography. Overall, this compound represents a class of molecules that may have applications in medicinal chemistry and agrochemicals.

Formula: C₁₁H₈BrClN₂O₃

InChI: InChI=1S/C11H8BrClN2O3/c12-7-1-2-10(8(13)5-7)18-6-15-4-3-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)

InChI key: InChIKey=MJJTVHPXSDXLAU-UHFFFAOYSA-N

SMILES: C(OC1=C(Cl)C=C(Br)C=C1)N2N=C(C(O)=O)C=C2

Synonyms:

• 1-[(4-Bromo-2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 1-[(4-bromo-2-chlorophenoxy)methyl]-

1-(4-Bromo-2-chlorophenoxymethyl)-1H-pyrazole-3-carboxylic acid

CAS: 1001500-72-6

Versatile small molecule scaffold

Formula: C₁₁H₈BrClN₂O₃

Purity: Min. 95%

Molecular weight: 331.55 g/mol

Ref: 3D-BQB50072