methyl 5-[(dimethyl-1,2-oxazol-4-yl)carbamoyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

• ChemBase ID: 494569
• Molecular Formular: C14H17N5O4
• Molecular Mass: 319.31588
• Monoisotopic Mass: 319.12805405
• SMILES: c1(nn2c(c1)CN(C(=O)Nc1c(onc1C)C)CC2)C(=O)OC
• Canonical SMILES: COC(=O)c1cc2n(n1)CCN(C2)C(=O)Nc1c(C)noc1C
• InChI: InChI=1S/C14H17N5O4/c1-8-12(9(2)23-17-8)15-14(21)18-4-5-19-10(7-18)6-11(16-19)13(20)22-3/h6H,4-5,7H2,1-3H3,(H,15,21)
• InChIKey: OPLAFMZRSPIZKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-[(dimethyl-1,2-oxazol-4-yl)carbamoyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• IUPAC Traditional name: methyl 5-[(dimethyl-1,2-oxazol-4-yl)carbamoyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• Synonyms: methyl 5-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.691886
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.110359535
• LogD (pH = 7.4): 0.11016548
• Log P: 0.11037632
• Molar Refractivity: 93.6521 cm^3
• Polarizability: 29.825176 Å^3
• Polar Surface Area: 102.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.65
• LOG S: -2.28
• Polar Surface Area: 102.49 Å^2
• Rotatable Bonds: 3