ChemSpider 2D Image | 1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-[4-ethyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine | C19H28N8

1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-[4-ethyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine

  • Molecular FormulaC19H28N8
  • Average mass368.479 Da
  • Monoisotopic mass368.243683 Da
  • ChemSpider ID29468681

More details:






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

1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-[4-ethyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin [German] [ACD/IUPAC Name]
1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-4-[4-ethyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine [ACD/IUPAC Name]
1-[(1-Éthyl-1H-pyrazol-4-yl)méthyl]-4-[4-éthyl-5-(1H-pyrazol-1-ylméthyl)-4H-1,2,4-triazol-3-yl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-[4-ethyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.6±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.22
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 4.34
ACD/KOC (pH 7.4): 82.31
Polar Surface Area: 70 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 284.6±7.0 cm3

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