1-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-4-phenyl-5-[1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]-1H-imidazole

• ChemBase ID: 688363
• Molecular Formular: C22H24N6
• Molecular Mass: 372.46616
• Monoisotopic Mass: 372.2062448
• SMILES: n1(c(c2cn(nc2)CC=C)c(nc1)c1ccccc1)C(c1n(ncc1)C)CC
• Canonical SMILES: C=CCn1ncc(c1)c1c(ncn1C(c1ccnn1C)CC)c1ccccc1
• InChI: InChI=1S/C22H24N6/c1-4-13-27-15-18(14-25-27)22-21(17-9-7-6-8-10-17)23-16-28(22)19(5-2)20-11-12-24-26(20)3/h4,6-12,14-16,19H,1,5,13H2,2-3H3
• InChIKey: JHUHHNQXEHJYJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-4-phenyl-5-[1-(prop-2-en-1-yl)-1H-pyrazol-4-yl]-1H-imidazole
• IUPAC Traditional name: 1-[1-(2-methylpyrazol-3-yl)propyl]-4-phenyl-5-[1-(prop-2-en-1-yl)pyrazol-4-yl]imidazole
• Synonyms: 1-allyl-4-{1-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-4-phenyl-1H-imidazol-5-yl}-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7295988
• LogD (pH = 7.4): 3.8475113
• Log P: 3.8492956
• Molar Refractivity: 134.0898 cm^3
• Polarizability: 44.820538 Å^3
• Polar Surface Area: 53.46 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: 4.2
• LOG S: -5.5
• Polar Surface Area: 53.46 Å^2
• Rotatable Bonds: 7