N,N-dimethyl-2-({[methyl(propan-2-yl)sulfamoyl]amino}methyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide

• ChemBase ID: 862404
• Molecular Formular: C14H26N6O3S
• Molecular Mass: 358.45964
• Monoisotopic Mass: 358.17870972
• SMILES: S(=O)(=O)(N(C(C)C)C)NCc1nn2c(c1)CN(C(=O)N(C)C)CC2
• Canonical SMILES: CC(N(S(=O)(=O)NCc1nn2c(c1)CN(CC2)C(=O)N(C)C)C)C
• InChI: InChI=1S/C14H26N6O3S/c1-11(2)18(5)24(22,23)15-9-12-8-13-10-19(14(21)17(3)4)6-7-20(13)16-12/h8,11,15H,6-7,9-10H2,1-5H3
• InChIKey: BAWSBPFPQVAINV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-({[methyl(propan-2-yl)sulfamoyl]amino}methyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• IUPAC Traditional name: 2-({[isopropyl(methyl)sulfamoyl]amino}methyl)-N,N-dimethyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• Synonyms: 2-[({[isopropyl(methyl)amino]sulfonyl}amino)methyl]-N,N-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.10429
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.2825501
• LogD (pH = 7.4): -1.2832735
• Log P: -1.2825137
• Molar Refractivity: 102.8854 cm^3
• Polarizability: 35.929714 Å^3
• Polar Surface Area: 90.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.0
• LOG S: -2.27
• Polar Surface Area: 90.78 Å^2
• Rotatable Bonds: 3