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

• ChemBase ID: 465624
• Molecular Formular: C24H27N5
• Molecular Mass: 385.50468
• Monoisotopic Mass: 385.22664589
• SMILES: n1n(cc(c1c1cc(ccc1)C)CNCCCn1nccc1)c1ccc(cc1)C
• Canonical SMILES: Cc1cccc(c1)c1nn(cc1CNCCCn1cccn1)c1ccc(cc1)C
• InChI: InChI=1S/C24H27N5/c1-19-8-10-23(11-9-19)29-18-22(17-25-12-4-14-28-15-5-13-26-28)24(27-29)21-7-3-6-20(2)16-21/h3,5-11,13,15-16,18,25H,4,12,14,17H2,1-2H3
• InChIKey: WTEOAHRLJGTWRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7802272
• LogD (pH = 7.4): 2.795513
• Log P: 4.966872
• Molar Refractivity: 130.3721 cm^3
• Polarizability: 47.208138 Å^3
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.96
• LOG S: -6.59
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 8