ChemSpider 2D Image | (2R)-N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)-2-phenylcyclopropanecarboxamide | C31H41N5O2

(2R)-N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)-2-phenylcyclopropanecarboxamide

  • Molecular FormulaC31H41N5O2
  • Average mass515.690 Da
  • Monoisotopic mass515.326050 Da
  • ChemSpider ID22839507

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)-2-phenylcyclopropancarboxamid [German] [ACD/IUPAC Name]
(2R)-N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)-2-phenylcyclopropanecarboxamide [ACD/IUPAC Name]
(2R)-N-{[5-(4-Éthyl-1-pipérazinyl)-3-méthyl-1-phényl-1H-pyrazol-4-yl]méthyl}-N-(3-méthoxypropyl)-2-phénylcyclopropanecarboxamide [French] [ACD/IUPAC Name]
Cyclopropanecarboxamide, N-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl]-N-(3-methoxypropyl)-2-phenyl-, (2R)- [ACD/Index 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: 688.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.2±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 153.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 9.23
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 87.34
ACD/KOC (pH 7.4): 568.53
Polar Surface Area: 54 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 437.4±7.0 cm3

Click to predict properties on the Chemicalize site


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