CAS 1006348-48-6

1-[(4-Chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid

Description:

1-[(4-Chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a 4-chlorophenoxy group enhances its lipophilicity and may influence its biological activity. The chlorophenyl moiety can also affect the compound's electronic properties, potentially impacting its interactions with biological targets. This substance is often studied for its potential applications in pharmaceuticals or agrochemicals, particularly due to its structural features that may confer herbicidal or fungicidal properties. Its molecular structure suggests it may participate in hydrogen bonding due to the carboxylic acid group, which can enhance solubility in polar solvents. Overall, the compound's unique combination of functional groups and structural characteristics makes it a subject of interest in various fields of chemical research.

Formula: C₁₁H₉ClN₂O₃

InChI: InChI=1S/C11H9ClN2O3/c12-8-1-3-9(4-2-8)17-7-14-6-5-10(13-14)11(15)16/h1-6H,7H2,(H,15,16)

InChI key: InChIKey=WVNZTCDMZYDGSK-UHFFFAOYSA-N

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

Synonyms:

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

1-(4-Chlorophenoxymethyl)-1H-pyrazole-3-carboxylic acid

CAS: 1006348-48-6

Versatile small molecule scaffold

Formula: C₁₁H₉ClN₂O₃

Purity: Min. 95%

Molecular weight: 252.65 g/mol

Ref: 3D-GQB34848