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

• ChemBase ID: 710553
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)NC(c1occc1)c1ccccc1
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)NC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C19H20N4O2/c1-22-9-10-23-15(13-22)12-16(21-23)19(24)20-18(17-8-5-11-25-17)14-6-3-2-4-7-14/h2-8,11-12,18H,9-10,13H2,1H3,(H,20,24)
• InChIKey: HJESZXCYFJIVEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.896578
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6319379
• LogD (pH = 7.4): 2.1088867
• Log P: 2.1201055
• Molar Refractivity: 106.302 cm^3
• Polarizability: 35.94912 Å^3
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.87
• LOG S: -3.25
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 4