1-(4-fluorophenyl)-3,5-dimethyl-4-{[2-(propan-2-yl)-1H-imidazol-1-yl]methyl}-1H-pyrazole

• ChemBase ID: 501494
• Molecular Formular: C18H21FN4
• Molecular Mass: 312.3845432
• Monoisotopic Mass: 312.17502491
• SMILES: c1(c(n(nc1C)c1ccc(cc1)F)C)Cn1c(ncc1)C(C)C
• Canonical SMILES: Fc1ccc(cc1)n1nc(c(c1C)Cn1ccnc1C(C)C)C
• InChI: InChI=1S/C18H21FN4/c1-12(2)18-20-9-10-22(18)11-17-13(3)21-23(14(17)4)16-7-5-15(19)6-8-16/h5-10,12H,11H2,1-4H3
• InChIKey: XVGDIFGTPBJPNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-3,5-dimethyl-4-{[2-(propan-2-yl)-1H-imidazol-1-yl]methyl}-1H-pyrazole
• IUPAC Traditional name: 1-(4-fluorophenyl)-4-[(2-isopropylimidazol-1-yl)methyl]-3,5-dimethylpyrazole
• Synonyms: 1-(4-fluorophenyl)-4-[(2-isopropyl-1H-imidazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7645278
• LogD (pH = 7.4): 3.581391
• Log P: 3.7289639
• Molar Refractivity: 90.4835 cm^3
• Polarizability: 34.19106 Å^3
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.39
• LOG S: -4.37
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 4