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

• ChemBase ID: 684095
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: n12c(cc(n1)CNC(=O)C)CN(CC2)Cc1ccc(cc1)OCCC
• Canonical SMILES: CCCOc1ccc(cc1)CN1CCn2c(C1)cc(n2)CNC(=O)C
• InChI: InChI=1S/C19H26N4O2/c1-3-10-25-19-6-4-16(5-7-19)13-22-8-9-23-18(14-22)11-17(21-23)12-20-15(2)24/h4-7,11H,3,8-10,12-14H2,1-2H3,(H,20,24)
• InChIKey: YPNRRYUQLCEOLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.220692
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.014697312
• LogD (pH = 7.4): 1.3961496
• Log P: 1.563198
• Molar Refractivity: 109.156 cm^3
• Polarizability: 37.737667 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.71
• LOG S: -2.3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7