(1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)methanol

• ChemBase ID: 636896
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: n12c(cc(nc1ccn2)CC)N1CCC(CC1)CO
• Canonical SMILES: OCC1CCN(CC1)c1cc(CC)nc2n1ncc2
• InChI: InChI=1S/C14H20N4O/c1-2-12-9-14(18-13(16-12)3-6-15-18)17-7-4-11(10-19)5-8-17/h3,6,9,11,19H,2,4-5,7-8,10H2,1H3
• InChIKey: FQCUVHURHYWJCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.46715
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4608268
• LogD (pH = 7.4): 1.4608732
• Log P: 1.4608738
• Molar Refractivity: 85.2162 cm^3
• Polarizability: 28.07041 Å^3
• Polar Surface Area: 53.66 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: 1.27
• LOG S: -2.18
• Polar Surface Area: 53.66 Å^2
• Rotatable Bonds: 3