ChemSpider 2D Image | N-{1-[1-(2-Methylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide | C26H32N4O

N-{1-[1-(2-Methylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide

  • Molecular FormulaC26H32N4O
  • Average mass416.559 Da
  • Monoisotopic mass416.257599 Da
  • ChemSpider ID22143559

More details:

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

Benzenebutanamide, N-[1-[1-[(2-methylphenyl)methyl]-4-piperidinyl]-1H-pyrazol-5-yl]- [ACD/Index Name]
N-{1-[1-(2-Methylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamid [German] [ACD/IUPAC Name]
N-{1-[1-(2-Methylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide [ACD/IUPAC Name]
N-{1-[1-(2-Méthylbenzyl)-4-pipéridinyl]-1H-pyrazol-5-yl}-4-phénylbutanamide [French] [ACD/IUPAC Name]
N-(1-{1-[(2-METHYLPHENYL)METHYL]PIPERIDIN-4-YL}-1H-PYRAZOL-5-YL)-4-PHENYLBUTANAMIDE
N-(2-{1-[(2-METHYLPHENYL)METHYL]PIPERIDIN-4-YL}PYRAZOL-3-YL)-4-PHENYLBUTANAMIDE
N-[2-[1-(2-methylbenzyl)-4-piperidyl]pyrazol-3-yl]-4-phenyl-butyramide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 631.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 126.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 9.70
ACD/KOC (pH 5.5): 39.38
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 488.25
ACD/KOC (pH 7.4): 1982.39
Polar Surface Area: 50 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 364.2±7.0 cm3

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