CAS 864685-46-1

5-(1,1-Dimethylethyl)-2-[2-(4-fluorophenoxy)ethyl]-2,4-dihydro-3H-pyrazol-3-one

Description:

5-(1,1-Dimethylethyl)-2-[2-(4-fluorophenoxy)ethyl]-2,4-dihydro-3H-pyrazol-3-one, with the CAS number 864685-46-1, is a synthetic organic compound characterized by its pyrazolone core, which is a five-membered ring containing two nitrogen atoms. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its hydrophobic properties, enhancing its solubility in organic solvents. The presence of a 4-fluorophenoxyethyl substituent introduces both electron-withdrawing and steric effects, which can influence its biological activity and reactivity. The compound is likely to exhibit moderate to high stability under standard conditions, although specific stability can depend on environmental factors such as pH and temperature. Its structure suggests potential applications in pharmaceuticals, particularly in areas requiring anti-inflammatory or analgesic properties, given the known activities of pyrazolone derivatives. However, detailed studies would be necessary to fully elucidate its pharmacological profile and safety.

Formula: C₁₅H₁₉FN₂O₂

InChI: InChI=1S/C15H19FN2O2/c1-15(2,3)13-10-14(19)18(17-13)8-9-20-12-6-4-11(16)5-7-12/h4-7H,8-10H2,1-3H3

InChI key: InChIKey=LIKVYAPIPIVTRQ-UHFFFAOYSA-N

SMILES: C(COC1=CC=C(F)C=C1)N2N=C(C(C)(C)C)CC2=O

Synonyms:

• 5-(1,1-Dimethylethyl)-2-[2-(4-fluorophenoxy)ethyl]-2,4-dihydro-3H-pyrazol-3-one
• 5-Tert-Butyl-2-[2-(4-Fluoro-Phenoxy)-Ethyl]-2,4-Dihydro-Pyrazol-3-One
• 5-Tert-Butyl-2-[2-(4-Fluoro-Phenoxy)-Ethyl]2G,4-Dihydro-Pyrazol-3-One
• 3H-Pyrazol-3-one, 5-(1,1-dimethylethyl)-2-[2-(4-fluorophenoxy)ethyl]-2,4-dihydro-