Found 1529 results

Search term: MF = 'C_{9}H_{16}N_{4}O_{3}S'
ChemSpider 2D Image | N-Methyl-N~3~-(methylsulfonyl)-N-(1H-pyrazol-3-ylmethyl)-beta-alaninamide | C9H16N4O3S

N-Methyl-N3-(methylsulfonyl)-N-(1H-pyrazol-3-ylmethyl)-β-alaninamide

  • Molecular FormulaC9H16N4O3S
  • Average mass260.313 Da
  • Monoisotopic mass260.094299 Da
  • ChemSpider ID35072223

More details:

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

N-Methyl-N3-(methylsulfonyl)-N-(1H-pyrazol-3-ylmethyl)-β-alaninamid [German] [ACD/IUPAC Name]
N-Methyl-N3-(methylsulfonyl)-N-(1H-pyrazol-3-ylmethyl)-β-alaninamide [ACD/IUPAC Name]
N-Méthyl-N3-(méthylsulfonyl)-N-(1H-pyrazol-3-ylméthyl)-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-methyl-3-[(methylsulfonyl)amino]-N-(1H-pyrazol-3-ylmethyl)- [ACD/Index Name]
3-METHANESULFONAMIDO-N-METHYL-N-(1H-PYRAZOL-3-YLMETHYL)PROPANAMIDE
3-METHANESULFONAMIDO-N-METHYL-N-[(1H-PYRAZOL-3-YL)METHYL]PROPANAMIDE
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4515807/
N1-methyl-N3-(methylsulfonyl)-N1-(1H-pyrazol-3-ylmethyl)-β-alaninamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.9±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 62.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.42
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.42
Polar Surface Area: 104 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 194.0±3.0 cm3

Click to predict properties on the Chemicalize site


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