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

• ChemBase ID: 627869
• Molecular Formular: C20H18N4O3
• Molecular Mass: 362.38192
• Monoisotopic Mass: 362.13789046
• SMILES: c1(nn2c(c1)CN(C(=O)c1c(O)cccc1)CC2)C(=O)Nc1ccccc1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)C(=O)c1ccccc1O)Nc1ccccc1
• InChI: InChI=1S/C20H18N4O3/c25-18-9-5-4-8-16(18)20(27)23-10-11-24-15(13-23)12-17(22-24)19(26)21-14-6-2-1-3-7-14/h1-9,12,25H,10-11,13H2,(H,21,26)
• InChIKey: IAZXKPMIGJFXNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.17019
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.9952965
• LogD (pH = 7.4): 2.9286535
• Log P: 2.9962175
• Molar Refractivity: 113.4967 cm^3
• Polarizability: 37.5984 Å^3
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.18
• LOG S: -2.73
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 3