N-({5-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide

• ChemBase ID: 684773
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(cn(nc1C)c1ccccc1)CN1Cc2n(nc(c2)CNC(=O)C)CC1
• Canonical SMILES: CC(=O)NCc1nn2c(c1)CN(CC2)Cc1cn(nc1C)c1ccccc1
• InChI: InChI=1S/C20H24N6O/c1-15-17(13-26(22-15)19-6-4-3-5-7-19)12-24-8-9-25-20(14-24)10-18(23-25)11-21-16(2)27/h3-7,10,13H,8-9,11-12,14H2,1-2H3,(H,21,27)
• InChIKey: YYFGEPAVSDFLQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
• IUPAC Traditional name: N-({5-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
• Synonyms: N-({5-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.899315
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.33626434
• LogD (pH = 7.4): 0.9440762
• Log P: 1.0587275
• Molar Refractivity: 116.3734 cm^3
• Polarizability: 40.375393 Å^3
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.09
• LOG S: -3.24
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 5