CAS 1004193-78-5

Methyl 1-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxylate

Description:

Methyl 1-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxylate is a chemical compound characterized by its complex structure, which includes a pyrazole ring, a carboxylate group, and a trifluoromethyl-substituted phenoxy moiety. This compound typically exhibits properties associated with both pyrazole derivatives and aromatic compounds, such as moderate to high lipophilicity, which can influence its solubility in organic solvents. The presence of the trifluoromethyl group often enhances the compound's biological activity and stability, making it of interest in pharmaceutical applications. Additionally, the methyl ester functionality can affect its reactivity and potential interactions in various chemical environments. The compound may also exhibit specific spectral characteristics in techniques such as NMR and IR spectroscopy, which can be utilized for its identification and characterization. Overall, this substance is likely to be of interest in medicinal chemistry and agrochemical research due to its unique structural features and potential applications.

Formula: C₁₃H₁₁F₃N₂O₃

InChI: InChI=1S/C13H11F3N2O3/c1-20-12(19)11-5-6-18(17-11)8-21-10-4-2-3-9(7-10)13(14,15)16/h2-7H,8H2,1H3

InChI key: InChIKey=OVOUTNXAAWPRPF-UHFFFAOYSA-N

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

Synonyms:

• Methyl 1-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 1-[[3-(trifluoromethyl)phenoxy]methyl]-, methyl ester

1-(3-Trifluoromethyl-phenoxymethyl)-1 H -pyrazole-3-carboxylic acid methyl ester

CAS: 1004193-78-5

Versatile small molecule scaffold

Formula: C₁₃H₁₁F₃N₂O₃

Purity: Min. 95%

Molecular weight: 300.23 g/mol

Ref: 3D-EQB19378