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

• ChemBase ID: 457170
• Molecular Formular: C14H23N5
• Molecular Mass: 261.36592
• Monoisotopic Mass: 261.19534576
• SMILES: c1(n(ccn1)CCC)CN(Cc1cn(nc1)C)CC
• Canonical SMILES: CCCn1ccnc1CN(Cc1cnn(c1)C)CC
• InChI: InChI=1S/C14H23N5/c1-4-7-19-8-6-15-14(19)12-18(5-2)11-13-9-16-17(3)10-13/h6,8-10H,4-5,7,11-12H2,1-3H3
• InChIKey: DGOSLADKNGKQCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(1-methyl-1H-pyrazol-4-yl)methyl][(1-propyl-1H-imidazol-2-yl)methyl]amine
• IUPAC Traditional name: ethyl[(1-methylpyrazol-4-yl)methyl][(1-propylimidazol-2-yl)methyl]amine
• Synonyms: N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-[(1-propyl-1H-imidazol-2-yl)methyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5468137
• LogD (pH = 7.4): 1.4314642
• Log P: 1.4814866
• Molar Refractivity: 89.3164 cm^3
• Polarizability: 29.635662 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: 1.48
• LOG S: -1.36
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7