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

• ChemBase ID: 393634
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)N(Cc1cn(nc1)c1c(C)cccc1)C
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)N(Cc1cnn(c1)c1ccccc1C)C
• InChI: InChI=1S/C20H24N6O/c1-15-6-4-5-7-19(15)26-13-16(11-21-26)12-24(3)20(27)18-10-17-14-23(2)8-9-25(17)22-18/h4-7,10-11,13H,8-9,12,14H2,1-3H3
• InChIKey: IMWZBKOEYPAQEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-N-{[1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N,5-dimethyl-N-{[1-(2-methylphenyl)pyrazol-4-yl]methyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N,5-dimethyl-N-{[1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6107713
• LogD (pH = 7.4): 2.087332
• Log P: 2.0985346
• Molar Refractivity: 117.9279 cm^3
• Polarizability: 40.17223 Å^3
• Polar Surface Area: 59.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.81
• LOG S: -3.4
• Polar Surface Area: 59.19 Å^2
• Rotatable Bonds: 4