5-(diethylsulfamoyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 844135
• Molecular Formular: C17H23N5O3S
• Molecular Mass: 377.46122
• Monoisotopic Mass: 377.15216062
• SMILES: S(=O)(=O)(N1Cc2n(nc(c2)C(=O)Nc2ccccc2)CC1)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)N1CCn2c(C1)cc(n2)C(=O)Nc1ccccc1)CC
• InChI: InChI=1S/C17H23N5O3S/c1-3-20(4-2)26(24,25)21-10-11-22-15(13-21)12-16(19-22)17(23)18-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,18,23)
• InChIKey: OUQBTWXYVJJTIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(diethylsulfamoyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(diethylsulfamoyl)-N-phenyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(diethylamino)sulfonyl]-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.543311
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9955594
• LogD (pH = 7.4): 0.9955578
• Log P: 0.99556077
• Molar Refractivity: 112.5116 cm^3
• Polarizability: 38.79058 Å^3
• Polar Surface Area: 87.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.58
• LOG S: -3.3
• Polar Surface Area: 87.54 Å^2
• Rotatable Bonds: 4