methyl 5-(5-ethyl-1,3-oxazole-4-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

• ChemBase ID: 574250
• Molecular Formular: C14H16N4O4
• Molecular Mass: 304.30124
• Monoisotopic Mass: 304.11715501
• SMILES: c1(C(=O)N2Cc3n(nc(c3)C(=O)OC)CC2)ncoc1CC
• Canonical SMILES: COC(=O)c1nn2c(c1)CN(CC2)C(=O)c1ncoc1CC
• InChI: InChI=1S/C14H16N4O4/c1-3-11-12(15-8-22-11)13(19)17-4-5-18-9(7-17)6-10(16-18)14(20)21-2/h6,8H,3-5,7H2,1-2H3
• InChIKey: FBKKTRWPNQLCGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-(5-ethyl-1,3-oxazole-4-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• IUPAC Traditional name: methyl 5-(5-ethyl-1,3-oxazole-4-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• Synonyms: methyl 5-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4112001
• LogD (pH = 7.4): 0.4112003
• Log P: 0.4112003
• Molar Refractivity: 88.0187 cm^3
• Polarizability: 28.548267 Å^3
• Polar Surface Area: 90.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.37
• LOG S: -1.73
• Polar Surface Area: 90.46 Å^2
• Rotatable Bonds: 4