N-[2-(2-methylpropanesulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 849217
• Molecular Formular: C13H18N4O3S
• Molecular Mass: 310.37202
• Monoisotopic Mass: 310.10996146
• SMILES: c1(nn2c(c1)nccc2)C(=O)NCCS(=O)(=O)CC(C)C
• Canonical SMILES: CC(CS(=O)(=O)CCNC(=O)c1nn2c(c1)nccc2)C
• InChI: InChI=1S/C13H18N4O3S/c1-10(2)9-21(19,20)7-5-15-13(18)11-8-12-14-4-3-6-17(12)16-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,15,18)
• InChIKey: HPZYPNQETSCIMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-methylpropanesulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[2-(2-methylpropanesulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-[2-(isobutylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.906065
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.18932383
• LogD (pH = 7.4): 0.18932411
• Log P: 0.18932423
• Molar Refractivity: 89.1053 cm^3
• Polarizability: 30.536942 Å^3
• Polar Surface Area: 93.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.51
• LOG S: -2.34
• Polar Surface Area: 93.43 Å^2
• Rotatable Bonds: 6