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

• ChemBase ID: 846336
• Molecular Formular: C14H20N6O
• Molecular Mass: 288.3482
• Monoisotopic Mass: 288.16985929
• SMILES: c1(nn2c(c1)CNCC2)C(=O)NCc1n(ccn1)CCC
• Canonical SMILES: CCCn1ccnc1CNC(=O)c1nn2c(c1)CNCC2
• InChI: InChI=1S/C14H20N6O/c1-2-5-19-6-4-16-13(19)10-17-14(21)12-8-11-9-15-3-7-20(11)18-12/h4,6,8,15H,2-3,5,7,9-10H2,1H3,(H,17,21)
• InChIKey: VLSSBXBOWOJWNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.968506
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2950952
• LogD (pH = 7.4): -0.28405887
• Log P: -0.049726468
• Molar Refractivity: 90.7847 cm^3
• Polarizability: 29.936705 Å^3
• Polar Surface Area: 76.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.26
• LOG S: -2.39
• Polar Surface Area: 76.77 Å^2
• Rotatable Bonds: 5