benzyl N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}carbamate

• ChemBase ID: 523216
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: n12nc(cc1CNCC2)CNC(=O)OCc1ccccc1
• Canonical SMILES: O=C(OCc1ccccc1)NCc1nn2c(c1)CNCC2
• InChI: InChI=1S/C15H18N4O2/c20-15(21-11-12-4-2-1-3-5-12)17-9-13-8-14-10-16-6-7-19(14)18-13/h1-5,8,16H,6-7,9-11H2,(H,17,20)
• InChIKey: VFMNMENNNZLOQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}carbamate
• IUPAC Traditional name: benzyl N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}carbamate
• Synonyms: benzyl (4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.844409
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0170579
• LogD (pH = 7.4): 0.65123814
• Log P: 1.077782
• Molar Refractivity: 89.7491 cm^3
• Polarizability: 30.394173 Å^3
• Polar Surface Area: 68.18 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: 0.6
• LOG S: -0.79
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 5