(4S,6R)-6-{(E)-2-[5-(4-Fluorophenyl)-3-Isopropyl-1-(2-Pyridinyl)-1H-Pyrazol-4-Yl]Vinyl}-4-Hydroxytetrahydro-2H-Pyran-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C24H24FN3O3
IUPAC Name (4s,6r)-6-[(e)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-pyridyl)pyrazol-4-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one
Molecular Mass 421.464 g·mol−1
Heat of Formation -324.7 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 508.25 Å 3
Surface Area 419.53 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,6r)-6-[(e)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-pyridyl)-4-pyrazolyl]vinyl]-4-hydroxy-2-tetrahydropyranone
  • (4s,6r)-6-[(e)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-pyridyl)pyrazol-4-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one
  • (4s,6r)-6-[(e)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-yl-pyrazol-4-yl]ethenyl]-4-hydroxy-oxan-2-one
  • (4s,6r)-6-[(e)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl]ethenyl]-4-hydroxyoxan-2-one
InChIKey LRZMDTLDCSDUGJ-MIMFYIINSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F