N-methyl-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-[(5-propyl-1H-pyrazol-3-yl)methyl]acetamide

• ChemBase ID: 648387
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n1(nc(c2c(c1=O)cccc2)C)CC(=O)N(Cc1n[nH]c(c1)CCC)C
• Canonical SMILES: CCCc1[nH]nc(c1)CN(C(=O)Cn1nc(C)c2c(c1=O)cccc2)C
• InChI: InChI=1S/C19H23N5O2/c1-4-7-14-10-15(21-20-14)11-23(3)18(25)12-24-19(26)17-9-6-5-8-16(17)13(2)22-24/h5-6,8-10H,4,7,11-12H2,1-3H3,(H,20,21)
• InChIKey: YWFRHNVSQSOHFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)-N-[(5-propyl-1H-pyrazol-3-yl)methyl]acetamide
• IUPAC Traditional name: N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(5-propyl-1H-pyrazol-3-yl)methyl]acetamide
• Synonyms: N-methyl-2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-[(5-propyl-1H-pyrazol-3-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.372629
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4537432
• LogD (pH = 7.4): 1.4538826
• Log P: 1.4538844
• Molar Refractivity: 100.6457 cm^3
• Polarizability: 37.263073 Å^3
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.15
• LOG S: -2.76
• Polar Surface Area: 83.88 Å^2
• Rotatable Bonds: 6