1-{4-fluoro-2-[1-(2-methoxy-2-methylpropyl)-1H-imidazol-2-yl]phenyl}-3,5-dimethyl-1H-pyrazole

• ChemBase ID: 552579
• Molecular Formular: C19H23FN4O
• Molecular Mass: 342.4105232
• Monoisotopic Mass: 342.1855896
• SMILES: n1(c2c(c3n(CC(OC)(C)C)ccn3)cc(cc2)F)nc(cc1C)C
• Canonical SMILES: COC(Cn1ccnc1c1cc(F)ccc1n1nc(cc1C)C)(C)C
• InChI: InChI=1S/C19H23FN4O/c1-13-10-14(2)24(22-13)17-7-6-15(20)11-16(17)18-21-8-9-23(18)12-19(3,4)25-5/h6-11H,12H2,1-5H3
• InChIKey: ADJIIKSRIKDIMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4-fluoro-2-[1-(2-methoxy-2-methylpropyl)-1H-imidazol-2-yl]phenyl}-3,5-dimethyl-1H-pyrazole
• IUPAC Traditional name: 1-{4-fluoro-2-[1-(2-methoxy-2-methylpropyl)imidazol-2-yl]phenyl}-3,5-dimethylpyrazole
• Synonyms: 1-{4-fluoro-2-[1-(2-methoxy-2-methylpropyl)-1H-imidazol-2-yl]phenyl}-3,5-dimethyl-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8619533
• LogD (pH = 7.4): 3.3010988
• Log P: 3.3128502
• Molar Refractivity: 107.4309 cm^3
• Polarizability: 37.48077 Å^3
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.7
• LOG S: -4.86
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 5