ChemSpider 2D Image | 4-({[1-(4-Isobutylbenzyl)-3-piperidinyl]amino}methyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C28H38N4O

4-({[1-(4-Isobutylbenzyl)-3-piperidinyl]amino}methyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC28H38N4O
  • Average mass446.628 Da
  • Monoisotopic mass446.304565 Da
  • ChemSpider ID23072821

More details:






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

3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[[[1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidinyl]amino]methyl]-2-phenyl- [ACD/Index Name]
4-({[1-(4-Isobutylbenzyl)-3-piperidinyl]amino}methyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-({[1-(4-Isobutylbenzyl)-3-piperidinyl]amino}methyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-({[1-(4-Isobutylbenzyl)-3-pipéridinyl]amino}méthyl)-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.3±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.15
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 39.83
Polar Surface Area: 39 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 390.2±5.0 cm3

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