5-benzyl-N-(2-hydroxyethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 748424
• Molecular Formular: C16H20N4O2
• Molecular Mass: 300.3556
• Monoisotopic Mass: 300.1586259
• SMILES: c1(nn2c(c1)CN(CC2)Cc1ccccc1)C(=O)NCCO
• Canonical SMILES: OCCNC(=O)c1nn2c(c1)CN(CC2)Cc1ccccc1
• InChI: InChI=1S/C16H20N4O2/c21-9-6-17-16(22)15-10-14-12-19(7-8-20(14)18-15)11-13-4-2-1-3-5-13/h1-5,10,21H,6-9,11-12H2,(H,17,22)
• InChIKey: YKOYLSLZMUSZRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-N-(2-hydroxyethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-benzyl-N-(2-hydroxyethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.019923
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.021058716
• LogD (pH = 7.4): 0.571156
• Log P: 0.58551663
• Molar Refractivity: 95.9206 cm^3
• Polarizability: 31.961227 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.84
• LOG S: -1.98
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 5