ChemSpider 2D Image | N-[2-(1-{[3-(3-Methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)ethyl]acetamide | C27H34N4O

N-[2-(1-{[3-(3-Methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)ethyl]acetamide

  • Molecular FormulaC27H34N4O
  • Average mass430.585 Da
  • Monoisotopic mass430.273254 Da
  • ChemSpider ID22225668

More details:

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

Acetamide, N-[2-[1-[[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidinyl]ethyl]- [ACD/Index Name]
N-[2-(1-{[3-(3-Methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)ethyl]acetamid [German] [ACD/IUPAC Name]
N-[2-(1-{[3-(3-Methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)ethyl]acetamide [ACD/IUPAC Name]
N-[2-(1-{[3-(3-Méthylphényl)-1-(4-méthylphényl)-1H-pyrazol-4-yl]méthyl}-4-pipéridinyl)éthyl]acétamide [French] [ACD/IUPAC Name]
N-[2-(1-{[3-(3-METHYLPHENYL)-1-(4-METHYLPHENYL)-1H-PYRAZOL-4-YL]METHYL}PIPERIDIN-4-YL)ETHYL]ACETAMIDE
N-[2-(1-{[3-(3-METHYLPHENYL)-1-(4-METHYLPHENYL)PYRAZOL-4-YL]METHYL}PIPERIDIN-4-YL)ETHYL]ACETAMIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 131.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 10.55
ACD/KOC (pH 5.5): 32.19
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 466.97
ACD/KOC (pH 7.4): 1424.23
Polar Surface Area: 50 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 378.5±7.0 cm3

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