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

• ChemBase ID: 366308
• Molecular Formular: C15H20N6
• Molecular Mass: 284.3595
• Monoisotopic Mass: 284.17494467
• SMILES: n12c(nc(cc1NCc1cn(nc1)CCC)C)cc(n2)C
• Canonical SMILES: CCCn1ncc(c1)CNc1cc(C)nc2n1nc(c2)C
• InChI: InChI=1S/C15H20N6/c1-4-5-20-10-13(9-17-20)8-16-14-6-11(2)18-15-7-12(3)19-21(14)15/h6-7,9-10,16H,4-5,8H2,1-3H3
• InChIKey: HVAXBMLXXYDOOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5089852
• LogD (pH = 7.4): 1.5094398
• Log P: 1.5094457
• Molar Refractivity: 105.1923 cm^3
• Polarizability: 30.733011 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: 2.14
• LOG S: -3.1
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5