N-{1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-3-(2-ethyl-1H-imidazol-1-yl)propanamide

• ChemBase ID: 436615
• Molecular Formular: C20H23F2N5O
• Molecular Mass: 387.4263264
• Monoisotopic Mass: 387.18706682
• SMILES: n1(c(c(cn1)C(NC(=O)CCn1c(ncc1)CC)C)C)c1c(cc(cc1)F)F
• Canonical SMILES: CCc1nccn1CCC(=O)NC(c1cnn(c1C)c1ccc(cc1F)F)C
• InChI: InChI=1S/C20H23F2N5O/c1-4-19-23-8-10-26(19)9-7-20(28)25-13(2)16-12-24-27(14(16)3)18-6-5-15(21)11-17(18)22/h5-6,8,10-13H,4,7,9H2,1-3H3,(H,25,28)
• InChIKey: HIGHJDKBWSUHNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-3-(2-ethyl-1H-imidazol-1-yl)propanamide
• IUPAC Traditional name: N-{1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl}-3-(2-ethylimidazol-1-yl)propanamide
• Synonyms: N-{1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-3-(2-ethyl-1H-imidazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.101274
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.75157
• LogD (pH = 7.4): 2.5486722
• Log P: 2.7456138
• Molar Refractivity: 103.4556 cm^3
• Polarizability: 38.96024 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.43
• LOG S: -4.1
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 7