ChemSpider 2D Image | {3-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)methanone | C23H30N8O

{3-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)methanone

  • Molecular FormulaC23H30N8O
  • Average mass434.537 Da
  • Monoisotopic mass434.254272 Da
  • ChemSpider ID65234190

More details:

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

{3-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)methanon [German] [ACD/IUPAC Name]
{3-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)methanone [ACD/IUPAC Name]
{3-[4-(Cyclopropylméthyl)-4H-1,2,4-triazol-3-yl]-1-méthyl-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-1-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl](4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 793.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.4±35.7 °C
Index of Refraction: 1.798
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.31
ACD/KOC (pH 5.5): 915.07
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.36
ACD/KOC (pH 7.4): 915.55
Polar Surface Area: 98 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 283.8±7.0 cm3

Click to predict properties on the Chemicalize site


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