ChemSpider 2D Image | 5-Amino-2-methyl-1,2-dihydro-3H-pyrazol-3-one | C4H7N3O

5-Amino-2-methyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC4H7N3O
  • Average mass113.118 Da
  • Monoisotopic mass113.058914 Da
  • ChemSpider ID11552274

More details:

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

3H-Pyrazol-3-one, 5-amino-1,2-dihydro-2-methyl- [ACD/Index Name]
5-Amino-2-methyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
5-Amino-2-methyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
5-Amino-2-méthyl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3-Amino-1-methyl-1H-pyrazol-5-ol [ACD/IUPAC Name]
54235-29-9 [RN]
5-Amino-2-methyl-1H-pyrazol-3(2H)-one
5-amino-2-methyl-1H-pyrazol-3-one
74530-10-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 185.2±43.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.1±3.0 kJ/mol
Flash Point: 65.8±28.2 °C
Index of Refraction: 1.543
Molar Refractivity: 28.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.49
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.61
Polar Surface Area: 58 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 91.2±3.0 cm3

Click to predict properties on the Chemicalize site


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