N-(1-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)acetamide

• ChemBase ID: 357069
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: c1(n2c(nc(c1)c1ccccc1)ccn2)N1CCC(NC(=O)C)CC1
• Canonical SMILES: CC(=O)NC1CCN(CC1)c1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C19H21N5O/c1-14(25)21-16-8-11-23(12-9-16)19-13-17(15-5-3-2-4-6-15)22-18-7-10-20-24(18)19/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,21,25)
• InChIKey: RIZWSBMJFNIABT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)acetamide
• IUPAC Traditional name: N-(1-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)acetamide
• Synonyms: N-[1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.477886
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9133689
• LogD (pH = 7.4): 1.9134071
• Log P: 1.9134076
• Molar Refractivity: 107.0453 cm^3
• Polarizability: 37.847366 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.4
• LOG S: -2.84
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3