CAS 1004193-21-8

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

Description:

1-[(3,5-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 3,5-dimethylphenoxy group contributes to its hydrophobic characteristics, potentially influencing its solubility and reactivity. This compound is often studied for its biological activity, particularly in the context of agricultural chemistry, where it may serve as a herbicide or fungicide. Its molecular structure allows for specific interactions with biological targets, making it of interest in medicinal chemistry as well. The carboxylic acid group can participate in hydrogen bonding, enhancing its solubility in polar solvents. Additionally, the compound's stability and reactivity can be influenced by the substituents on the phenoxy group, which may affect its overall efficacy in various applications. Overall, this compound exemplifies the intricate relationship between molecular structure and chemical behavior, making it a subject of interest in both research and practical applications.

Formula: C₁₃H₁₄N₂O₃

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

InChI key: InChIKey=BJDDSMALJBAIRJ-UHFFFAOYSA-N

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

Synonyms:

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

1-(3,5-Dimethylphenoxymethyl)-1H-pyrazole-3-carboxylic acid

CAS: 1004193-21-8

Versatile small molecule scaffold

Formula: C₁₃H₁₄N₂O₃

Purity: Min. 95%

Molecular weight: 246.26 g/mol

Ref: 3D-EQB19321