N-[2-(2-ethoxyphenyl)ethyl]-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 530049
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)NCCc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1CCNC(=O)c1nn2c(c1)CN(CC2)C
• InChI: InChI=1S/C18H24N4O2/c1-3-24-17-7-5-4-6-14(17)8-9-19-18(23)16-12-15-13-21(2)10-11-22(15)20-16/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,23)
• InChIKey: ZCNNEXOFNIABNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.058882
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2750418
• LogD (pH = 7.4): 1.75219
• Log P: 1.7634165
• Molar Refractivity: 105.5951 cm^3
• Polarizability: 35.696064 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.92
• LOG S: -3.23
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6