ChemSpider 2D Image | 2-{3-[4-Methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}acetamide | C14H21N7O

2-{3-[4-Methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}acetamide

  • Molecular FormulaC14H21N7O
  • Average mass303.363 Da
  • Monoisotopic mass303.180756 Da
  • ChemSpider ID29480428

More details:

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

1-Piperidineacetamide, 3-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
2-{3-[4-Methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}acetamid [German] [ACD/IUPAC Name]
2-{3-[4-Methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}acetamide [ACD/IUPAC Name]
2-{3-[4-Méthyl-5-(1H-pyrazol-1-ylméthyl)-4H-1,2,4-triazol-3-yl]-1-pipéridinyl}acétamide [French] [ACD/IUPAC Name]
2-{3-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 582.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 305.9±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 83.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.91
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.51
Polar Surface Area: 95 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 212.2±7.0 cm3

Click to predict properties on the Chemicalize site


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