N-[3-(cyclohexyloxy)-2-hydroxypropyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 329648
• Molecular Formular: C18H26N4O4
• Molecular Mass: 362.42344
• Monoisotopic Mass: 362.19540533
• SMILES: c12c(cnn1cc(cn2)CCO)C(=O)NCC(COC1CCCCC1)O
• Canonical SMILES: OCCc1cnc2n(c1)ncc2C(=O)NCC(COC1CCCCC1)O
• InChI: InChI=1S/C18H26N4O4/c23-7-6-13-8-19-17-16(10-21-22(17)11-13)18(25)20-9-14(24)12-26-15-4-2-1-3-5-15/h8,10-11,14-15,23-24H,1-7,9,12H2,(H,20,25)
• InChIKey: LPFSOCGRKLEQIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.761976
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 0.37055713
• LogD (pH = 7.4): 0.37055877
• Log P: 0.3705605
• Molar Refractivity: 107.3398 cm^3
• Polarizability: 36.6835 Å^3
• Polar Surface Area: 108.98 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: 1.08
• LOG S: -2.77
• Polar Surface Area: 108.98 Å^2
• Rotatable Bonds: 8