CAS 845266-32-2

1H-Pyrazole, 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-

Description:

1H-Pyrazole, 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-, identified by CAS number 845266-32-2, is a heterocyclic organic compound featuring a pyrazole ring substituted with a benzodioxole moiety and a trifluoromethyl group. This compound exhibits notable characteristics such as a relatively low molecular weight and specific structural features that contribute to its chemical reactivity and potential biological activity. The presence of the trifluoromethyl group enhances lipophilicity and can influence the compound's pharmacokinetic properties, making it of interest in medicinal chemistry. The benzodioxole fragment may impart additional stability and can participate in various chemical interactions. This compound is typically synthesized through multi-step organic reactions, and its properties can be further explored through techniques such as NMR spectroscopy and mass spectrometry. Its applications may span across pharmaceuticals, agrochemicals, or materials science, depending on the specific functionalization and reactivity of the pyrazole core.

Formula: C₁₁H₇F₃N₂O₂

InChI: InChI=1S/C11H7F3N2O2/c12-11(13,14)10-4-7(15-16-10)6-1-2-8-9(3-6)18-5-17-8/h1-4H,5H2,(H,15,16)

InChI key: InChIKey=IBBFTLXZTITAMF-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=CC(=NN1)C=2C=C3C(=CC2)OCO3

Synonyms:

• 1H-Pyrazole, 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-
• 3-(1,3-Benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole