N-cyclopropyl-2-[(2-methylprop-2-en-1-yl)oxy]-N-[(trimethyl-1H-pyrazol-4-yl)methyl]benzamide

• ChemBase ID: 405825
• Molecular Formular: C21H27N3O2
• Molecular Mass: 353.45798
• Monoisotopic Mass: 353.21032712
• SMILES: c1(c(n(nc1C)C)C)CN(C(=O)c1c(OCC(=C)C)cccc1)C1CC1
• Canonical SMILES: CC(=C)COc1ccccc1C(=O)N(C1CC1)Cc1c(C)nn(c1C)C
• InChI: InChI=1S/C21H27N3O2/c1-14(2)13-26-20-9-7-6-8-18(20)21(25)24(17-10-11-17)12-19-15(3)22-23(5)16(19)4/h6-9,17H,1,10-13H2,2-5H3
• InChIKey: RGHRUKRKTADOBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[(2-methylprop-2-en-1-yl)oxy]-N-[(trimethyl-1H-pyrazol-4-yl)methyl]benzamide
• IUPAC Traditional name: N-cyclopropyl-2-[(2-methylprop-2-en-1-yl)oxy]-N-[(trimethylpyrazol-4-yl)methyl]benzamide
• Synonyms: N-cyclopropyl-2-[(2-methylprop-2-en-1-yl)oxy]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0349362
• LogD (pH = 7.4): 3.036981
• Log P: 3.0370073
• Molar Refractivity: 115.3061 cm^3
• Polarizability: 39.28214 Å^3
• Polar Surface Area: 47.36 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: 3.1
• LOG S: -4.42
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 7