2-{2-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-N,N-diethylacetamide

• ChemBase ID: 864616
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: n12c(cc(n1)Cc1ccccc1)CN(CC(=O)N(CC)CC)CC2
• Canonical SMILES: CCN(C(=O)CN1CCn2c(C1)cc(n2)Cc1ccccc1)CC
• InChI: InChI=1S/C19H26N4O/c1-3-22(4-2)19(24)15-21-10-11-23-18(14-21)13-17(20-23)12-16-8-6-5-7-9-16/h5-9,13H,3-4,10-12,14-15H2,1-2H3
• InChIKey: DCJJAVJEINGEPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.619041
• LogD (pH = 7.4): 1.8840168
• Log P: 1.8886975
• Molar Refractivity: 107.9234 cm^3
• Polarizability: 36.988483 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.23
• LOG S: -3.48
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6