{1-[({5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}(methyl)amino)methyl]cyclopropyl}methanol

• ChemBase ID: 678823
• Molecular Formular: C16H24N4O
• Molecular Mass: 288.38796
• Monoisotopic Mass: 288.19501141
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(CC1(CC1)CO)C)CC
• Canonical SMILES: CCc1cc(N(CC2(CO)CC2)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C16H24N4O/c1-5-13-8-14(19(4)9-16(10-21)6-7-16)20-15(17-13)11(2)12(3)18-20/h8,21H,5-7,9-10H2,1-4H3
• InChIKey: IIZFOCQKQTYAIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[({5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}(methyl)amino)methyl]cyclopropyl}methanol
• IUPAC Traditional name: {1-[({5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}(methyl)amino)methyl]cyclopropyl}methanol
• Synonyms: (1-{[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)(methyl)amino]methyl}cyclopropyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.070548
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2044938
• LogD (pH = 7.4): 2.204808
• Log P: 2.204812
• Molar Refractivity: 94.4214 cm^3
• Polarizability: 31.589651 Å^3
• Polar Surface Area: 53.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.46
• LOG S: -3.4
• Polar Surface Area: 53.66 Å^2
• Rotatable Bonds: 5