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

• ChemBase ID: 865808
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: n12c(cc(n1)Cc1ccccc1)CN(CC(=O)N(c1ccccc1)C)CC2
• Canonical SMILES: CN(c1ccccc1)C(=O)CN1CCn2c(C1)cc(n2)Cc1ccccc1
• InChI: InChI=1S/C22H24N4O/c1-24(20-10-6-3-7-11-20)22(27)17-25-12-13-26-21(16-25)15-19(23-26)14-18-8-4-2-5-9-18/h2-11,15H,12-14,16-17H2,1H3
• InChIKey: WNPIILZDPBWNIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.564255
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.665774
• LogD (pH = 7.4): 2.830479
• Log P: 2.83304
• Molar Refractivity: 118.2038 cm^3
• Polarizability: 41.055515 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.99
• LOG S: -4.38
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5