ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[4-{[2-(3,4-dihydro-2(1H)-isoquinolinyl)ethyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate | C31H38N6O5

2-Methyl-2-propanyl 4-[4-{[2-(3,4-dihydro-2(1H)-isoquinolinyl)ethyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate

  • Molecular FormulaC31H38N6O5
  • Average mass574.671 Da
  • Monoisotopic mass574.290344 Da
  • ChemSpider ID22480271

More details:

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

1-Piperidinecarboxylic acid, 4-[4-[[[2-(3,4-dihydro-2(1H)-isoquinolinyl)ethyl]amino]carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[4-{[2-(3,4-dihydro-2(1H)-isoquinolinyl)ethyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[4-{[2-(3,4-dihydro-2(1H)-isochinolinyl)ethyl]carbamoyl}-1-(4-nitrophenyl)-1H-pyrazol-5-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[4-{[2-(3,4-Dihydro-2(1H)-isoquinoléinyl)éthyl]carbamoyl}-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: 749.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 407.0±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 159.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 7.77
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 55.76
ACD/KOC (pH 7.4): 280.03
Polar Surface Area: 126 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 439.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement