5-benzyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 543145
• Molecular Formular: C19H22N6O2
• Molecular Mass: 366.41698
• Monoisotopic Mass: 366.18042397
• SMILES: c1(nn2c(c1)CN(CC2)Cc1ccccc1)C(=O)N(Cc1nonc1C)C
• Canonical SMILES: CN(C(=O)c1nn2c(c1)CN(CC2)Cc1ccccc1)Cc1nonc1C
• InChI: InChI=1S/C19H22N6O2/c1-14-18(22-27-21-14)13-23(2)19(26)17-10-16-12-24(8-9-25(16)20-17)11-15-6-4-3-5-7-15/h3-7,10H,8-9,11-13H2,1-2H3
• InChIKey: XCCNZVKIKHIGMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-benzyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-benzyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.46165898
• LogD (pH = 7.4): 1.0111243
• Log P: 1.0254551
• Molar Refractivity: 113.5775 cm^3
• Polarizability: 37.83285 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.42
• LOG S: -3.09
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 5