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

• ChemBase ID: 757119
• Molecular Formular: C21H20N4O3
• Molecular Mass: 376.4085
• Monoisotopic Mass: 376.15354052
• SMILES: c1(nn2c(c1)CN(C(=O)COc1ccccc1)CC2)C(=O)Nc1ccccc1
• Canonical SMILES: O=C(N1CCn2c(C1)cc(n2)C(=O)Nc1ccccc1)COc1ccccc1
• InChI: InChI=1S/C21H20N4O3/c26-20(15-28-18-9-5-2-6-10-18)24-11-12-25-17(14-24)13-19(23-25)21(27)22-16-7-3-1-4-8-16/h1-10,13H,11-12,14-15H2,(H,22,27)
• InChIKey: KZBADICUXPHUCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.548355
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3125114
• LogD (pH = 7.4): 2.3125088
• Log P: 2.312512
• Molar Refractivity: 116.8074 cm^3
• Polarizability: 39.72045 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.16
• LOG S: -3.79
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 5