N-methyl-3-[(2-methylprop-2-en-1-yl)oxy]-N-[(5-propyl-1H-pyrazol-3-yl)methyl]benzamide

• ChemBase ID: 585495
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: C(=O)(N(Cc1n[nH]c(c1)CCC)C)c1cc(OCC(=C)C)ccc1
• Canonical SMILES: CCCc1[nH]nc(c1)CN(C(=O)c1cccc(c1)OCC(=C)C)C
• InChI: InChI=1S/C19H25N3O2/c1-5-7-16-11-17(21-20-16)12-22(4)19(23)15-8-6-9-18(10-15)24-13-14(2)3/h6,8-11H,2,5,7,12-13H2,1,3-4H3,(H,20,21)
• InChIKey: AYUUQCIUOQBIAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.399925
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3648183
• LogD (pH = 7.4): 3.3649576
• Log P: 3.3649595
• Molar Refractivity: 96.8902 cm^3
• Polarizability: 36.486755 Å^3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.61
• LOG S: -4.67
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 8