N-(1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}pyrrolidin-3-yl)acetamide

• ChemBase ID: 840533
• Molecular Formular: C14H19N5O
• Molecular Mass: 273.33356
• Monoisotopic Mass: 273.15896025
• SMILES: n12c(N3CC(NC(=O)C)CC3)cc(nc1ccn2)CC
• Canonical SMILES: CCc1cc(N2CCC(C2)NC(=O)C)n2c(n1)ccn2
• InChI: InChI=1S/C14H19N5O/c1-3-11-8-14(19-13(17-11)4-6-15-19)18-7-5-12(9-18)16-10(2)20/h4,6,8,12H,3,5,7,9H2,1-2H3,(H,16,20)
• InChIKey: YPYUVGGFUCTOQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}pyrrolidin-3-yl)acetamide
• IUPAC Traditional name: N-(1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}pyrrolidin-3-yl)acetamide
• Synonyms: N-[1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.02
• LOG S: -2.06
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3

JChem

• H Donor: 1
• LogD (pH = 5.5): 0.65223163
• LogD (pH = 7.4): 0.6522776
• Log P: 0.6522782
• Molar Refractivity: 86.6341 cm^3
• Polarizability: 28.672323 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.291248
• H Acceptors: 4