[3-(1H-imidazol-1-yl)propyl]({[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl})amine

• ChemBase ID: 707123
• Molecular Formular: C24H27N5
• Molecular Mass: 385.50468
• Monoisotopic Mass: 385.22664589
• SMILES: n1n(cc(c1c1cc(ccc1)C)CNCCCn1cncc1)c1ccc(cc1)C
• Canonical SMILES: Cc1cccc(c1)c1nn(cc1CNCCCn1cncc1)c1ccc(cc1)C
• InChI: InChI=1S/C24H27N5/c1-19-7-9-23(10-8-19)29-17-22(16-25-11-4-13-28-14-12-26-18-28)24(27-29)21-6-3-5-20(2)15-21/h3,5-10,12,14-15,17-18,25H,4,11,13,16H2,1-2H3
• InChIKey: RLEAOZYUQHGJPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(1H-imidazol-1-yl)propyl]({[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl})amine
• IUPAC Traditional name: [3-(imidazol-1-yl)propyl]({[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl})amine
• Synonyms: 3-(1H-imidazol-1-yl)-N-{[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-propanamine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 4.6
• LOG S: -6.33
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 8
• H Acceptors: 5
• H Donor: 1

JChem

• Molar Refractivity: 119.3202 cm^3
• Polarizability: 47.214355 Å^3
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.92459154
• LogD (pH = 7.4): 2.4019132
• Log P: 4.6442184