5-[1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-yl]-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 665557
• Molecular Formular: C21H26N6O
• Molecular Mass: 378.47074
• Monoisotopic Mass: 378.21680948
• SMILES: c1(nn2c(c1)CN(C(Cc1c([nH]nc1C)C)C)CC2)C(=O)Nc1ccccc1
• Canonical SMILES: CC(N1CCn2c(C1)cc(n2)C(=O)Nc1ccccc1)Cc1c(C)n[nH]c1C
• InChI: InChI=1S/C21H26N6O/c1-14(11-19-15(2)23-24-16(19)3)26-9-10-27-18(13-26)12-20(25-27)21(28)22-17-7-5-4-6-8-17/h4-8,12,14H,9-11,13H2,1-3H3,(H,22,28)(H,23,24)
• InChIKey: UDAXDNONMLHTPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-yl]-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-[1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-yl]-N-phenyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylethyl]-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.550822
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4516603
• LogD (pH = 7.4): 2.5620155
• Log P: 2.6335387
• Molar Refractivity: 123.7891 cm^3
• Polarizability: 41.368908 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.88
• LOG S: -3.56
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 5