ChemSpider 2D Image | 4-(6-{[(cis-4-Methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid | C25H27N3O2

4-(6-{[(cis-4-Methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid

  • Molecular FormulaC25H27N3O2
  • Average mass401.501 Da
  • Monoisotopic mass401.210327 Da
  • ChemSpider ID23290844

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-(6-{[(cis-4-Methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoesäure [German] [ACD/IUPAC Name]
4-(6-{[(cis-4-Methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid [ACD/IUPAC Name]
Acide 4-(6-{[(cis-4-méthylcyclohexyl)amino]méthyl}-1,4-dihydroindéno[1,2-c]pyrazol-3-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1,4-dihydro-6-[[(cis-4-methylcyclohexyl)amino]methyl]indeno[1,2-c]pyrazol-3-yl]- [ACD/Index Name]
4-(6-{[(4-Methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid [ACD/IUPAC Name]
4-{6-[(cis-4-methyl-cyclohexylamino)-methyl]-1,4-dihydro-indeno[1,2-c]pyrazol-3-yl}-benzoic acid
CHEMBL242737

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.7±31.5 °C
Index of Refraction: 1.671
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 50.30
ACD/KOC (pH 5.5): 111.42
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 51.09
ACD/KOC (pH 7.4): 113.17
Polar Surface Area: 78 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 308.4±5.0 cm3

Click to predict properties on the Chemicalize site


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