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

• ChemBase ID: 666288
• Molecular Formular: C14H23N5O3
• Molecular Mass: 309.36412
• Monoisotopic Mass: 309.18008962
• SMILES: c12n(nc(c1)CNC(=O)COCC)CCN(C(=O)N(C)C)C2
• Canonical SMILES: CCOCC(=O)NCc1nn2c(c1)CN(CC2)C(=O)N(C)C
• InChI: InChI=1S/C14H23N5O3/c1-4-22-10-13(20)15-8-11-7-12-9-18(14(21)17(2)3)5-6-19(12)16-11/h7H,4-6,8-10H2,1-3H3,(H,15,20)
• InChIKey: BIZUAQQNEINTIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.18953
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3595746
• LogD (pH = 7.4): -1.3595479
• Log P: -1.3595469
• Molar Refractivity: 92.7509 cm^3
• Polarizability: 30.98593 Å^3
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.36
• LOG S: -1.6
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 5