N-({5-[(2E)-2-methylbut-2-en-1-yl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide

• ChemBase ID: 851976
• Molecular Formular: C14H22N4O
• Molecular Mass: 262.35068
• Monoisotopic Mass: 262.17936134
• SMILES: n12c(cc(n1)CNC(=O)C)CN(C/C(=C/C)/C)CC2
• Canonical SMILES: C/C=C(/CN1CCn2c(C1)cc(n2)CNC(=O)C)\C
• InChI: InChI=1S/C14H22N4O/c1-4-11(2)9-17-5-6-18-14(10-17)7-13(16-18)8-15-12(3)19/h4,7H,5-6,8-10H2,1-3H3,(H,15,19)/b11-4+
• InChIKey: IEVWWOIPCXNHJF-NYYWCZLTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5-[(2E)-2-methylbut-2-en-1-yl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
• IUPAC Traditional name: N-({5-[(2E)-2-methylbut-2-en-1-yl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
• Synonyms: N-({5-[(2E)-2-methylbut-2-en-1-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.406698
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.452164
• LogD (pH = 7.4): 0.15845487
• Log P: 0.47831184
• Molar Refractivity: 87.9258 cm^3
• Polarizability: 29.070326 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.11
• LOG S: -2.52
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4