N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 745704
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NCc1c(nn(c1)CC)C
• Canonical SMILES: CCn1cc(c(n1)C)CNC(=O)Cc1c(C)[nH]c2c1c(C)ccc2C
• InChI: InChI=1S/C20H26N4O/c1-6-24-11-16(14(4)23-24)10-21-18(25)9-17-15(5)22-20-13(3)8-7-12(2)19(17)20/h7-8,11,22H,6,9-10H2,1-5H3,(H,21,25)
• InChIKey: GTXHHIVIMFMYRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.695096
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9927444
• LogD (pH = 7.4): 2.9933965
• Log P: 2.9934049
• Molar Refractivity: 113.2592 cm^3
• Polarizability: 39.32893 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.61
• LOG S: -3.9
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 5