methyl 5-[5-(methoxymethyl)furan-2-carbonyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

• ChemBase ID: 523534
• Molecular Formular: C15H17N3O5
• Molecular Mass: 319.31258
• Monoisotopic Mass: 319.11682066
• SMILES: c1(nn2c(c1)CN(C(=O)c1oc(cc1)COC)CC2)C(=O)OC
• Canonical SMILES: COCc1ccc(o1)C(=O)N1CCn2c(C1)cc(n2)C(=O)OC
• InChI: InChI=1S/C15H17N3O5/c1-21-9-11-3-4-13(23-11)14(19)17-5-6-18-10(8-17)7-12(16-18)15(20)22-2/h3-4,7H,5-6,8-9H2,1-2H3
• InChIKey: UONQFEZFCQOCBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-[5-(methoxymethyl)furan-2-carbonyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• IUPAC Traditional name: methyl 5-[5-(methoxymethyl)furan-2-carbonyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• Synonyms: methyl 5-[5-(methoxymethyl)-2-furoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.2173992
• LogD (pH = 7.4): 0.21739939
• Log P: 0.21739939
• Molar Refractivity: 91.8431 cm^3
• Polarizability: 30.188047 Å^3
• Polar Surface Area: 86.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.45
• LOG S: -1.91
• Polar Surface Area: 86.8 Å^2
• Rotatable Bonds: 5