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

• ChemBase ID: 854352
• Molecular Formular: C19H28N4
• Molecular Mass: 312.45242
• Monoisotopic Mass: 312.23139692
• SMILES: n12c(cc(n1)Cc1ccccc1)CN(CC2)CCN(CC)CC
• Canonical SMILES: CCN(CCN1CCn2c(C1)cc(n2)Cc1ccccc1)CC
• InChI: InChI=1S/C19H28N4/c1-3-21(4-2)10-11-22-12-13-23-19(16-22)15-18(20-23)14-17-8-6-5-7-9-17/h5-9,15H,3-4,10-14,16H2,1-2H3
• InChIKey: LJYWGGIPHYWHKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6432525
• LogD (pH = 7.4): 0.5451191
• Log P: 2.7889493
• Molar Refractivity: 108.2423 cm^3
• Polarizability: 37.337494 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.0
• LOG S: -3.03
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 7