4-Butyl-5-Oxo-1,2-Diphenyl-2,5-Dihydro-1H-Pyrazol-3-Yl 3,4,5-Trimethoxybenzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C29H30N2O6
IUPAC Name (4-butyl-5-oxo-1,2-diphenyl-pyrazole-1,2-diium-3-yl) 3,4,5-trimethoxybenzoate
Molecular Mass 502.558 g·mol−1
Heat of Formation -522.7 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 595.3 Å 3
Surface Area 490.68 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trimethoxybenzoic acid [4-butyl-5-keto-1,2-di(phenyl)pyrazol-3-yl] ester
  • 3,4,5-trimethoxybenzoic acid [4-butyl-5-oxo-1,2-di(phenyl)-3-pyrazolyl] ester
  • 3,4,5-trimethoxybenzoic acid ester with 4-butyl-1,2-diphenyl-3-hydroxy-3-pyrazolin-5-one
  • 3-pyrazolin-5-one, 4-butyl-3-hydroxy-1,2-diphenyl-, 3,4,5-trimethoxybenzoate (ester)
  • 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1h-pyrazol-3-yl 3,4,5-trimethoxybenzoate
  • [4-butyl-5-oxo-1,2-di(phenyl)pyrazol-3-yl] 3,4,5-trimethoxybenzoate
  • benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1h-pyrazol-3-yl ester
  • benzoic acid, 3,4,5-trimethoxy-, ester with 4-butyl-1,2-diphenyl-3-hydroxy-3-pyr
  • benzoic acid, 3,4,5-trimethoxy-, ester with 4-butyl-1,2-diphenyl-3-hydroxy-3-pyrazolin-5-one
  • lh 150
  • lh-150
  • megazone
  • phenylbutazone trimethoxybenzoate
  • phenylbutazone trimethylgallate
  • phenylbutazone trimethylgallic ester
CAS Number(s)
  • 16006-74-9
InChIKey LAVQJQXAUQINRC-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N