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Search term: KPSCQDHJPNEXSJ-LDYMZIIASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1R,5R)-N-Methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide | C11H15N3O

(1R,5R)-N-Methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide

  • Molecular FormulaC11H15N3O
  • Average mass205.256 Da
  • Monoisotopic mass205.121506 Da
  • ChemSpider ID103786059

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-N-Methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexan-1-carboxamid [German] [ACD/IUPAC Name]
(1R,5R)-N-Methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide [ACD/IUPAC Name]
(1R,5R)-N-Méthyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hexane-1-carboxamide, N-methyl-N-1H-pyrazol-4-yl-, (1R,5R)- [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: 384.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 186.1±20.4 °C
Index of Refraction: 1.674
Molar Refractivity: 56.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.29
ACD/KOC (pH 5.5): 143.98
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.33
ACD/KOC (pH 7.4): 144.80
Polar Surface Area: 49 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 77.6±3.0 dyne/cm
Molar Volume: 150.9±3.0 cm3

Click to predict properties on the Chemicalize site


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