N-{[3-methyl-1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 588324
• Molecular Formular: C24H28N4
• Molecular Mass: 372.50592
• Monoisotopic Mass: 372.23139692
• SMILES: c1(c(nn(c1)CC=C)C)CN(C1c2c(CCC1)cccc2)Cc1cnccc1
• Canonical SMILES: C=CCn1cc(c(n1)C)CN(C1CCCc2c1cccc2)Cc1cccnc1
• InChI: InChI=1S/C24H28N4/c1-3-14-28-18-22(19(2)26-28)17-27(16-20-8-7-13-25-15-20)24-12-6-10-21-9-4-5-11-23(21)24/h3-5,7-9,11,13,15,18,24H,1,6,10,12,14,16-17H2,2H3
• InChIKey: KOGCQTAGXBORSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-methyl-1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]methyl}-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: N-{[3-methyl-1-(prop-2-en-1-yl)pyrazol-4-yl]methyl}-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: N-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0306218
• LogD (pH = 7.4): 3.7851882
• Log P: 4.4251895
• Molar Refractivity: 126.5084 cm^3
• Polarizability: 44.278862 Å^3
• Polar Surface Area: 33.95 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: 4.0
• LOG S: -3.02
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 7