2-[(3-ethoxypropanamido)methyl]-N,N-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide

• ChemBase ID: 548441
• Molecular Formular: C15H25N5O3
• Molecular Mass: 323.3907
• Monoisotopic Mass: 323.19573969
• SMILES: c12n(nc(c1)CNC(=O)CCOCC)CCN(C(=O)N(C)C)C2
• Canonical SMILES: CCOCCC(=O)NCc1nn2c(c1)CN(CC2)C(=O)N(C)C
• InChI: InChI=1S/C15H25N5O3/c1-4-23-8-5-14(21)16-10-12-9-13-11-19(15(22)18(2)3)6-7-20(13)17-12/h9H,4-8,10-11H2,1-3H3,(H,16,21)
• InChIKey: VJUXLKSWVMTSQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-ethoxypropanamido)methyl]-N,N-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• IUPAC Traditional name: 2-[(3-ethoxypropanamido)methyl]-N,N-dimethyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• Synonyms: 2-{[(3-ethoxypropanoyl)amino]methyl}-N,N-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.182561
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1225618
• LogD (pH = 7.4): -1.1225346
• Log P: -1.1225342
• Molar Refractivity: 97.4503 cm^3
• Polarizability: 32.815052 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: -1.21
• LOG S: -1.83
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 6