ChemSpider 2D Image | {5-[(2-Butyl-5-chloro-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}(cyclopropyl)methanol | C19H28ClN5O

{5-[(2-Butyl-5-chloro-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}(cyclopropyl)methanol

  • Molecular FormulaC19H28ClN5O
  • Average mass377.911 Da
  • Monoisotopic mass377.198242 Da
  • ChemSpider ID35084805

More details:

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

{5-[(2-Butyl-5-chlor-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}(cyclopropyl)methanol [German] [ACD/IUPAC Name]
{5-[(2-Butyl-5-chloro-1H-imidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}(cyclopropyl)methanol [ACD/IUPAC Name]
{5-[(2-Butyl-5-chloro-1H-imidazol-4-yl)méthyl]-5,6,7,8-tétrahydro-4H-pyrazolo[1,5-a][1,4]diazépin-2-yl}(cyclopropyl)méthanol [French] [ACD/IUPAC Name]
4H-Pyrazolo[1,5-a][1,4]diazepine-2-methanol, 5-[(2-butyl-5-chloro-1H-imidazol-4-yl)methyl]-α-cyclopropyl-5,6,7,8-tetrahydro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 610.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.3±30.1 °C
Index of Refraction: 1.696
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.97
ACD/KOC (pH 5.5): 32.82
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.48
ACD/KOC (pH 7.4): 207.78
Polar Surface Area: 70 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 265.8±7.0 cm3

Click to predict properties on the Chemicalize site


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