ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{4-[(4-benzyl-1-piperazinyl)carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}-1-piperidinecarboxylate | C31H38N6O5

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

  • Molecular FormulaC31H38N6O5
  • Average mass574.671 Da
  • Monoisotopic mass574.290344 Da
  • ChemSpider ID21472107

More details:

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

1-Piperidinecarboxylic acid, 4-[1-(4-nitrophenyl)-4-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{4-[(4-benzyl-1-piperazinyl)carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{4-[(4-benzyl-1-piperazinyl)carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{4-[(4-Benzyl-1-pipérazinyl)carbonyl]-1-(4-nitrophényl)-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: 1.3±0.1 g/cm3
Boiling Point: 712.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 160.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 91.98
ACD/KOC (pH 5.5): 519.63
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 561.12
ACD/KOC (pH 7.4): 3169.86
Polar Surface Area: 117 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 445.2±7.0 cm3

Click to predict properties on the Chemicalize site


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