2-{[2-(benzyloxy)acetamido]methyl}-N,N-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide

• ChemBase ID: 419154
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: c12n(nc(c1)CNC(=O)COCc1ccccc1)CCN(C(=O)N(C)C)C2
• Canonical SMILES: O=C(NCc1nn2c(c1)CN(CC2)C(=O)N(C)C)COCc1ccccc1
• InChI: InChI=1S/C19H25N5O3/c1-22(2)19(26)23-8-9-24-17(12-23)10-16(21-24)11-20-18(25)14-27-13-15-6-4-3-5-7-15/h3-7,10H,8-9,11-14H2,1-2H3,(H,20,25)
• InChIKey: ZLLCMKHQPSDPDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(benzyloxy)acetamido]methyl}-N,N-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• IUPAC Traditional name: 2-{[2-(benzyloxy)acetamido]methyl}-N,N-dimethyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• Synonyms: 2-({[(benzyloxy)acetyl]amino}methyl)-N,N-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.2183275
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.008090632
• LogD (pH = 7.4): 0.008117328
• Log P: 0.008118261
• Molar Refractivity: 112.6149 cm^3
• Polarizability: 38.68205 Å^3
• Polar Surface Area: 79.7 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: 0.31
• LOG S: -3.48
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 6