N-({5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide

• ChemBase ID: 548255
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: n12c(cc(n1)CNC(=O)C)CN(C/C=C(/CCC=C(C)C)\C)CC2
• Canonical SMILES: C/C(=C\CN1CCn2c(C1)cc(n2)CNC(=O)C)/CCC=C(C)C
• InChI: InChI=1S/C19H30N4O/c1-15(2)6-5-7-16(3)8-9-22-10-11-23-19(14-22)12-18(21-23)13-20-17(4)24/h6,8,12H,5,7,9-11,13-14H2,1-4H3,(H,20,24)/b16-8+
• InChIKey: FGNQJNQIHORNAF-LZYBPNLTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
• IUPAC Traditional name: N-({5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
• Synonyms: N-({5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.223297
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.32893497
• LogD (pH = 7.4): 1.8792452
• Log P: 2.138026
• Molar Refractivity: 111.7284 cm^3
• Polarizability: 38.041466 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.15
• LOG S: -3.45
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7