ChemSpider 2D Image | N-{1-[1-(4-Chlorobenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide | C25H29ClN4O

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

  • Molecular FormulaC25H29ClN4O
  • Average mass436.977 Da
  • Monoisotopic mass436.203003 Da
  • ChemSpider ID22125159

More details:

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

Benzenebutanamide, N-[1-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-1H-pyrazol-5-yl]- [ACD/Index Name]
N-{1-[1-(4-Chlorbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamid [German] [ACD/IUPAC Name]
N-{1-[1-(4-Chlorobenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide [ACD/IUPAC Name]
N-{1-[1-(4-Chlorobenzyl)-4-pipéridinyl]-1H-pyrazol-5-yl}-4-phénylbutanamide [French] [ACD/IUPAC Name]
N-(1-{1-[(4-CHLOROPHENYL)METHYL]PIPERIDIN-4-YL}-1H-PYRAZOL-5-YL)-4-PHENYLBUTANAMIDE
N-(2-{1-[(4-CHLOROPHENYL)METHYL]PIPERIDIN-4-YL}PYRAZOL-3-YL)-4-PHENYLBUTANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 640.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.9±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 28.47
ACD/KOC (pH 5.5): 104.57
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1191.81
ACD/KOC (pH 7.4): 4377.76
Polar Surface Area: 50 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 358.3±7.0 cm3

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