1-{3-[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]propyl}-3,5-dimethyl-1H-pyrazole

• ChemBase ID: 512514
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(c2c(c(OC)ccc2)OC)n(ccn1)CCCn1nc(cc1C)C
• Canonical SMILES: COc1c(OC)cccc1c1nccn1CCCn1nc(cc1C)C
• InChI: InChI=1S/C19H24N4O2/c1-14-13-15(2)23(21-14)11-6-10-22-12-9-20-19(22)16-7-5-8-17(24-3)18(16)25-4/h5,7-9,12-13H,6,10-11H2,1-4H3
• InChIKey: WVKONJPMXHAHCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]propyl}-3,5-dimethyl-1H-pyrazole
• IUPAC Traditional name: 1-{3-[2-(2,3-dimethoxyphenyl)imidazol-1-yl]propyl}-3,5-dimethylpyrazole
• Synonyms: 1-{3-[2-(2,3-dimethoxyphenyl)-1H-imidazol-1-yl]propyl}-3,5-dimethyl-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9879032
• LogD (pH = 7.4): 2.398089
• Log P: 2.4083517
• Molar Refractivity: 119.5365 cm^3
• Polarizability: 37.737167 Å^3
• Polar Surface Area: 54.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -3.99
• Polar Surface Area: 54.1 Å^2
• Rotatable Bonds: 7