2-[4-(3-methoxypyrazin-2-yl)-1H-pyrazol-1-yl]-N-(2-propyl-2H-1,2,3-triazol-4-yl)acetamide

• ChemBase ID: 419182
• Molecular Formular: C15H18N8O2
• Molecular Mass: 342.35582
• Monoisotopic Mass: 342.15527186
• SMILES: c1(cn(nc1)CC(=O)Nc1nn(nc1)CCC)c1c(nccn1)OC
• Canonical SMILES: CCCn1ncc(n1)NC(=O)Cn1ncc(c1)c1nccnc1OC
• InChI: InChI=1S/C15H18N8O2/c1-3-6-23-19-8-12(21-23)20-13(24)10-22-9-11(7-18-22)14-15(25-2)17-5-4-16-14/h4-5,7-9H,3,6,10H2,1-2H3,(H,20,21,24)
• InChIKey: TVDZPHFJFCSJPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(3-methoxypyrazin-2-yl)-1H-pyrazol-1-yl]-N-(2-propyl-2H-1,2,3-triazol-4-yl)acetamide
• IUPAC Traditional name: 2-[4-(3-methoxypyrazin-2-yl)pyrazol-1-yl]-N-(2-propyl-1,2,3-triazol-4-yl)acetamide
• Synonyms: 2-[4-(3-methoxypyrazin-2-yl)-1H-pyrazol-1-yl]-N-(2-propyl-2H-1,2,3-triazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.826721
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.5738314
• LogD (pH = 7.4): 0.57370126
• Log P: 0.573856
• Molar Refractivity: 113.9685 cm^3
• Polarizability: 34.71289 Å^3
• Polar Surface Area: 112.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.73
• LOG S: -2.32
• Polar Surface Area: 112.64 Å^2
• Rotatable Bonds: 7