ChemSpider 2D Image | 3-{[1-(1,3-Benzodioxol-5-ylmethyl)-4-piperidinyl]amino}-1H-indazole-5-carbonitrile | C21H21N5O2

3-{[1-(1,3-Benzodioxol-5-ylmethyl)-4-piperidinyl]amino}-1H-indazole-5-carbonitrile

  • Molecular FormulaC21H21N5O2
  • Average mass375.424 Da
  • Monoisotopic mass375.169525 Da
  • ChemSpider ID23263903

More details:

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

1H-indazole-5-carbonitrile, 3-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]- [ACD/Index Name]
3-{[1-(1,3-Benzodioxol-5-ylmethyl)-4-piperidinyl]amino}-1H-indazol-5-carbonitril [German] [ACD/IUPAC Name]
3-{[1-(1,3-Benzodioxol-5-ylmethyl)-4-piperidinyl]amino}-1H-indazole-5-carbonitrile [ACD/IUPAC Name]
3-{[1-(1,3-Benzodioxol-5-ylméthyl)-4-pipéridinyl]amino}-1H-indazole-5-carbonitrile [French] [ACD/IUPAC Name]
3-{[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino}-1H-indazole-5-carbonitrile
3-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-1H-indazole-5-carbonitrile
CHEMBL197059

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

Density: 1.4±0.1 g/cm3
Boiling Point: 621.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.6±31.5 °C
Index of Refraction: 1.708
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.04
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 27.82
ACD/KOC (pH 7.4): 254.11
Polar Surface Area: 86 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 268.4±5.0 cm3

Click to predict properties on the Chemicalize site


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