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

• ChemBase ID: 588301
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NC(c1cn(nc1)C)C
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1c(C)ccc2C)NC(c1cnn(c1)C)C
• InChI: InChI=1S/C19H24N4O/c1-11-6-7-12(2)19-18(11)16(14(4)22-19)8-17(24)21-13(3)15-9-20-23(5)10-15/h6-7,9-10,13,22H,8H2,1-5H3,(H,21,24)
• InChIKey: IYEUDMJKZRPEKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.565981
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9217253
• LogD (pH = 7.4): 2.9218009
• Log P: 2.9218018
• Molar Refractivity: 108.3379 cm^3
• Polarizability: 37.56576 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.96
• LOG S: -3.24
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 4