2,2-diphenyl-N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}acetamide

• ChemBase ID: 430576
• Molecular Formular: C21H22N4O
• Molecular Mass: 346.42558
• Monoisotopic Mass: 346.17936134
• SMILES: n12nc(cc1CNCC2)CNC(=O)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(C(c1ccccc1)c1ccccc1)NCc1nn2c(c1)CNCC2
• InChI: InChI=1S/C21H22N4O/c26-21(23-14-18-13-19-15-22-11-12-25(19)24-18)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13,20,22H,11-12,14-15H2,(H,23,26)
• InChIKey: VSIIRENKAZRSNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.839363
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.15021057
• LogD (pH = 7.4): 1.818538
• Log P: 2.245148
• Molar Refractivity: 112.9043 cm^3
• Polarizability: 39.297787 Å^3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.02
• LOG S: -2.6
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 5