[(1R,2S)-2-({5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)cyclopentyl]methanol

• ChemBase ID: 744376
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: c1(n2c(nc(c1)CC)ccn2)N[C@@H]1[C@H](CO)CCC1
• Canonical SMILES: OC[C@@H]1CCC[C@@H]1Nc1cc(CC)nc2n1ncc2
• InChI: InChI=1S/C14H20N4O/c1-2-11-8-14(18-13(16-11)6-7-15-18)17-12-5-3-4-10(12)9-19/h6-8,10,12,17,19H,2-5,9H2,1H3/t10-,12-/m0/s1
• InChIKey: QLTZRTWDSZZZEI-JQWIXIFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,2S)-2-({5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)cyclopentyl]methanol
• IUPAC Traditional name: [(1R,2S)-2-({5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)cyclopentyl]methanol
• Synonyms: {(1R*,2S*)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.422301
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3714527
• LogD (pH = 7.4): 1.3715
• Log P: 1.3715006
• Molar Refractivity: 85.1538 cm^3
• Polarizability: 28.07081 Å^3
• Polar Surface Area: 62.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.83
• LOG S: -2.66
• Polar Surface Area: 62.45 Å^2
• Rotatable Bonds: 4