5-(2-hydroxy-4-methylpentanoyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 331711
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(nn2c(c1)CN(C(=O)C(CC(C)C)O)CC2)C(=O)Nc1ccccc1
• Canonical SMILES: CC(CC(C(=O)N1CCn2c(C1)cc(n2)C(=O)Nc1ccccc1)O)C
• InChI: InChI=1S/C19H24N4O3/c1-13(2)10-17(24)19(26)22-8-9-23-15(12-22)11-16(21-23)18(25)20-14-6-4-3-5-7-14/h3-7,11,13,17,24H,8-10,12H2,1-2H3,(H,20,25)
• InChIKey: GIONNUPQLGXIGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-hydroxy-4-methylpentanoyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(2-hydroxy-4-methylpentanoyl)-N-phenyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-(2-hydroxy-4-methylpentanoyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.453742
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8012341
• LogD (pH = 7.4): 1.8012309
• Log P: 1.8012346
• Molar Refractivity: 110.715 cm^3
• Polarizability: 37.447212 Å^3
• Polar Surface Area: 87.46 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: 1.95
• LOG S: -3.47
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 5