CAS 1004193-23-0

1-[(2,5-Dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid

Description:

1-[(2,5-Dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its unique structure, which includes a pyrazole ring and a carboxylic acid functional group. The presence of the 2,5-dimethylphenoxy group contributes to its hydrophobic properties, while the carboxylic acid group imparts acidity and potential for hydrogen bonding. This compound is typically used in research and development, particularly in the fields of medicinal chemistry and agrochemicals, due to its potential biological activity. Its molecular structure suggests it may interact with various biological targets, making it of interest for further studies. The compound is likely to exhibit moderate solubility in organic solvents and limited solubility in water, which is common for many pyrazole derivatives. Safety and handling precautions should be observed, as with any chemical substance, to mitigate risks associated with exposure. Overall, this compound represents a class of chemicals that may have significant applications in pharmaceuticals or crop protection agents.

Formula: C₁₃H₁₄N₂O₃

InChI: InChI=1S/C13H14N2O3/c1-9-3-4-10(2)12(7-9)18-8-15-6-5-11(14-15)13(16)17/h3-7H,8H2,1-2H3,(H,16,17)

InChI key: InChIKey=XOQZWRSBZGRLLO-UHFFFAOYSA-N

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

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 1-[(2,5-dimethylphenoxy)methyl]-
• 1-[(2,5-Dimethylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid