N-({5-hexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide

• ChemBase ID: 863849
• Molecular Formular: C15H26N4O
• Molecular Mass: 278.39314
• Monoisotopic Mass: 278.21066147
• SMILES: n12c(cc(n1)CNC(=O)C)CN(CC2)CCCCCC
• Canonical SMILES: CCCCCCN1CCn2c(C1)cc(n2)CNC(=O)C
• InChI: InChI=1S/C15H26N4O/c1-3-4-5-6-7-18-8-9-19-15(12-18)10-14(17-19)11-16-13(2)20/h10H,3-9,11-12H2,1-2H3,(H,16,20)
• InChIKey: QCJIBPJDRKWEDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5-hexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
• IUPAC Traditional name: N-({5-hexyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
• Synonyms: N-[(5-hexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.380455
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0363002
• LogD (pH = 7.4): 0.7130485
• Log P: 1.3301021
• Molar Refractivity: 91.8832 cm^3
• Polarizability: 31.15319 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.92
• LOG S: -2.02
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7