[(1-ethyl-1H-pyrazol-4-yl)methyl][(1-methyl-1H-imidazol-2-yl)methyl](2-methylpropyl)amine

• ChemBase ID: 462089
• Molecular Formular: C15H25N5
• Molecular Mass: 275.3925
• Monoisotopic Mass: 275.21099583
• SMILES: c1(n(ccn1)C)CN(Cc1cn(nc1)CC)CC(C)C
• Canonical SMILES: CCn1ncc(c1)CN(Cc1nccn1C)CC(C)C
• InChI: InChI=1S/C15H25N5/c1-5-20-11-14(8-17-20)10-19(9-13(2)3)12-15-16-6-7-18(15)4/h6-8,11,13H,5,9-10,12H2,1-4H3
• InChIKey: ACJUXAPCBGTDEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-1H-pyrazol-4-yl)methyl][(1-methyl-1H-imidazol-2-yl)methyl](2-methylpropyl)amine
• IUPAC Traditional name: [(1-ethylpyrazol-4-yl)methyl][(1-methylimidazol-2-yl)methyl](2-methylpropyl)amine
• Synonyms: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.45929852
• LogD (pH = 7.4): 1.7062544
• Log P: 1.8464594
• Molar Refractivity: 93.788 cm^3
• Polarizability: 31.478548 Å^3
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.69
• LOG S: -1.64
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7