N-(1-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}pyrrolidin-3-yl)acetamide

• ChemBase ID: 843242
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: n12c(c(c(n2)C)C)nc(cc1N1CC(NC(=O)C)CC1)C
• Canonical SMILES: CC(=O)NC1CCN(C1)c1cc(C)nc2n1nc(c2C)C
• InChI: InChI=1S/C15H21N5O/c1-9-7-14(19-6-5-13(8-19)17-12(4)21)20-15(16-9)10(2)11(3)18-20/h7,13H,5-6,8H2,1-4H3,(H,17,21)
• InChIKey: IWGDCJFLOOMSFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}pyrrolidin-3-yl)acetamide
• IUPAC Traditional name: N-(1-{2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}pyrrolidin-3-yl)acetamide
• Synonyms: N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.35556
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.59621257
• LogD (pH = 7.4): 0.59652984
• Log P: 0.5965339
• Molar Refractivity: 91.6399 cm^3
• Polarizability: 30.35188 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.4
• LOG S: -2.49
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 2