ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}-1-phenyl-1H-pyrazol-5-yl)-1-piperidinecarboxylate | C31H39N5O4

2-Methyl-2-propanyl 4-(4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}-1-phenyl-1H-pyrazol-5-yl)-1-piperidinecarboxylate

  • Molecular FormulaC31H39N5O4
  • Average mass545.672 Da
  • Monoisotopic mass545.300232 Da
  • ChemSpider ID21923502

More details:

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

1-Piperidinecarboxylic acid, 4-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl]-1-phenyl-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}-1-phenyl-1H-pyrazol-5-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}-1-phenyl-1H-pyrazol-5-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(4-{[4-(2-Méthoxyphényl)-1-pipérazinyl]carbonyl}-1-phényl-1H-pyrazol-5-yl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 699.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.8±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 155.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1308.81
ACD/KOC (pH 5.5): 5924.13
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1309.16
ACD/KOC (pH 7.4): 5925.72
Polar Surface Area: 80 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 445.6±7.0 cm3

Click to predict properties on the Chemicalize site


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