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

• ChemBase ID: 477420
• Molecular Formular: C15H20N6
• Molecular Mass: 284.3595
• Monoisotopic Mass: 284.17494467
• SMILES: n12c(nc(cc1NCC(n1ncc(c1)C)C)CC)ccn2
• Canonical SMILES: CCc1cc(NCC(n2ncc(c2)C)C)n2c(n1)ccn2
• InChI: InChI=1S/C15H20N6/c1-4-13-7-15(21-14(19-13)5-6-17-21)16-9-12(3)20-10-11(2)8-18-20/h5-8,10,12,16H,4,9H2,1-3H3
• InChIKey: CBDCGRSGWXKYBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.206364
• LogD (pH = 7.4): 2.2065232
• Log P: 2.206525
• Molar Refractivity: 104.8915 cm^3
• Polarizability: 30.738905 Å^3
• Polar Surface Area: 60.04 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: 2.42
• LOG S: -3.34
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5