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

• ChemBase ID: 403155
• Molecular Formular: C16H23N5O
• Molecular Mass: 301.38672
• Monoisotopic Mass: 301.19026038
• SMILES: n12c(cc(nc1ccn2)CCC)N1CCC(NC(=O)C)CC1
• Canonical SMILES: CCCc1cc(N2CCC(CC2)NC(=O)C)n2c(n1)ccn2
• InChI: InChI=1S/C16H23N5O/c1-3-4-14-11-16(21-15(19-14)5-8-17-21)20-9-6-13(7-10-20)18-12(2)22/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3,(H,18,22)
• InChIKey: XVDLBHSKEBKMPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.312514
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1567599
• LogD (pH = 7.4): 1.156806
• Log P: 1.1568066
• Molar Refractivity: 96.1005 cm^3
• Polarizability: 32.34624 Å^3
• Polar Surface Area: 62.53 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: 1.1
• LOG S: -2.34
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4