N-cyclopropyl-5-[2-(ethanesulfonyl)propanoyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 673315
• Molecular Formular: C15H22N4O4S
• Molecular Mass: 354.42458
• Monoisotopic Mass: 354.1361762
• SMILES: c1(nn2c(c1)CN(C(=O)C(S(=O)(=O)CC)C)CC2)C(=O)NC1CC1
• Canonical SMILES: CCS(=O)(=O)C(C(=O)N1CCn2c(C1)cc(n2)C(=O)NC1CC1)C
• InChI: InChI=1S/C15H22N4O4S/c1-3-24(22,23)10(2)15(21)18-6-7-19-12(9-18)8-13(17-19)14(20)16-11-4-5-11/h8,10-11H,3-7,9H2,1-2H3,(H,16,20)
• InChIKey: BBVAMYSACLVXRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[2-(ethanesulfonyl)propanoyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[2-(ethanesulfonyl)propanoyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[2-(ethylsulfonyl)propanoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.838562
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.8219092
• LogD (pH = 7.4): -0.83723706
• Log P: -0.8217093
• Molar Refractivity: 99.3825 cm^3
• Polarizability: 34.296795 Å^3
• Polar Surface Area: 101.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.19
• LOG S: -3.13
• Polar Surface Area: 101.37 Å^2
• Rotatable Bonds: 5