1-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}piperidine-3-carboxamide

• ChemBase ID: 853374
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: n12c(N3CC(C(=O)N)CCC3)cc(nc1ccn2)CCC
• Canonical SMILES: CCCc1cc(N2CCCC(C2)C(=O)N)n2c(n1)ccn2
• InChI: InChI=1S/C15H21N5O/c1-2-4-12-9-14(20-13(18-12)6-7-17-20)19-8-3-5-11(10-19)15(16)21/h6-7,9,11H,2-5,8,10H2,1H3,(H2,16,21)
• InChIKey: UAQHECRCJPWWLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}piperidine-3-carboxamide
• IUPAC Traditional name: 1-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}piperidine-3-carboxamide
• Synonyms: 1-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.804819
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5488113
• LogD (pH = 7.4): 1.5488571
• Log P: 1.5488577
• Molar Refractivity: 91.325 cm^3
• Polarizability: 30.50872 Å^3
• Polar Surface Area: 76.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.95
• LOG S: -2.11
• Polar Surface Area: 76.52 Å^2
• Rotatable Bonds: 4