N-[2-(4-methyl-1H-imidazol-2-yl)ethyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 499323
• Molecular Formular: C15H20N6
• Molecular Mass: 284.3595
• Monoisotopic Mass: 284.17494467
• SMILES: n12c(nc(cc1NCCc1nc(c[nH]1)C)C(C)C)ccn2
• Canonical SMILES: Cc1c[nH]c(n1)CCNc1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C15H20N6/c1-10(2)12-8-15(21-14(20-12)5-7-18-21)16-6-4-13-17-9-11(3)19-13/h5,7-10,16H,4,6H2,1-3H3,(H,17,19)
• InChIKey: APLBAZGIQWITDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methyl-1H-imidazol-2-yl)ethyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-isopropyl-N-[2-(4-methyl-1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-isopropyl-N-[2-(4-methyl-1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.019698
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.35827547
• LogD (pH = 7.4): 1.4669594
• Log P: 1.6374865
• Molar Refractivity: 93.1989 cm^3
• Polarizability: 30.748655 Å^3
• Polar Surface Area: 70.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.88
• LOG S: -2.88
• Polar Surface Area: 70.9 Å^2
• Rotatable Bonds: 5