ChemSpider 2D Image | 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate | C29H30N2O6

4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC29H30N2O6
  • Average mass502.558 Da
  • Monoisotopic mass502.210388 Da
  • ChemSpider ID25706

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

16006-74-9 [RN]
240-138-0 [EINECS]
3,4,5-Triméthoxybenzoate de 4-butyl-5-oxo-1,2-diphényl-2,5-dihydro-1H-pyrazol-3-yle [French] [ACD/IUPAC Name]
4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate
4-Butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
4-Butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester [ACD/Index Name]
3,4,5-Trimethoxybenzoate de phenylbutazone [French]
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)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 0870070 [DBID]
LH 150 [DBID]
LH-150 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 577.8±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.2±30.9 °C
Index of Refraction: 1.631
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3130.40
ACD/KOC (pH 5.5): 11059.75
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3130.40
ACD/KOC (pH 7.4): 11059.75
Polar Surface Area: 78 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 391.7±5.0 cm3

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