2-[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]-6-methoxy-N,N-bis(propan-2-yl)benzamide

• ChemBase ID: 684744
• Molecular Formular: C19H25F2N3O2
• Molecular Mass: 365.4175064
• Monoisotopic Mass: 365.1914835
• SMILES: c1(c2c(C(=O)N(C(C)C)C(C)C)c(OC)ccc2)cn(nc1C)C(F)F
• Canonical SMILES: COc1cccc(c1C(=O)N(C(C)C)C(C)C)c1cn(nc1C)C(F)F
• InChI: InChI=1S/C19H25F2N3O2/c1-11(2)24(12(3)4)18(25)17-14(8-7-9-16(17)26-6)15-10-23(19(20)21)22-13(15)5/h7-12,19H,1-6H3
• InChIKey: HLTGWGNKEUWUNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]-6-methoxy-N,N-bis(propan-2-yl)benzamide
• IUPAC Traditional name: 2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-N,N-diisopropyl-6-methoxybenzamide
• Synonyms: 2-[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]-N,N-diisopropyl-6-methoxybenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7934372
• LogD (pH = 7.4): 3.7935455
• Log P: 3.7935467
• Molar Refractivity: 108.3678 cm^3
• Polarizability: 37.498943 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -4.33
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6