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

• ChemBase ID: 672513
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: n12c(cc(n1)Cc1ccccc1)CN(CC(=O)NCCc1ccccc1)CC2
• Canonical SMILES: O=C(CN1CCn2c(C1)cc(n2)Cc1ccccc1)NCCc1ccccc1
• InChI: InChI=1S/C23H26N4O/c28-23(24-12-11-19-7-3-1-4-8-19)18-26-13-14-27-22(17-26)16-21(25-27)15-20-9-5-2-6-10-20/h1-10,16H,11-15,17-18H2,(H,24,28)
• InChIKey: FQIYFBPVHJBMHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.3487425
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8039932
• LogD (pH = 7.4): 2.9621012
• Log P: 2.96454
• Molar Refractivity: 122.8971 cm^3
• Polarizability: 42.911945 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: 3.55
• LOG S: -4.96
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7