ChemSpider 2D Image | 2-({4-[4-Ethyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}methyl)benzonitrile | C21H25N7

2-({4-[4-Ethyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}methyl)benzonitrile

  • Molecular FormulaC21H25N7
  • Average mass375.470 Da
  • Monoisotopic mass375.217133 Da
  • ChemSpider ID30983482

More details:

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

2-({4-[4-Ethyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}methyl)benzonitril [German] [ACD/IUPAC Name]
2-({4-[4-Ethyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}methyl)benzonitrile [ACD/IUPAC Name]
2-({4-[4-Éthyl-5-(1H-pyrazol-1-ylméthyl)-4H-1,2,4-triazol-3-yl]-1-pipéridinyl}méthyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[[4-[4-ethyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]- [ACD/Index Name]
2-({4-[4-ethyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)benzonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.9±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 111.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.04
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 12.97
ACD/KOC (pH 7.4): 196.32
Polar Surface Area: 76 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 298.9±7.0 cm3

Click to predict properties on the Chemicalize site


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