N-benzyl-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-sulfonamide

• ChemBase ID: 376235
• Molecular Formular: C14H18N4O2S
• Molecular Mass: 306.38332
• Monoisotopic Mass: 306.11504684
• SMILES: S(=O)(=O)(N1Cc2n(nc(c2)C)CC1)NCc1ccccc1
• Canonical SMILES: Cc1nn2c(c1)CN(CC2)S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C14H18N4O2S/c1-12-9-14-11-17(7-8-18(14)16-12)21(19,20)15-10-13-5-3-2-4-6-13/h2-6,9,15H,7-8,10-11H2,1H3
• InChIKey: GTRJHOHLMPJSEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.8136215
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.43561882
• LogD (pH = 7.4): 0.43621898
• Log P: 0.43637693
• Molar Refractivity: 92.1603 cm^3
• Polarizability: 31.974129 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.37
• LOG S: -1.75
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 2