N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 665737
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCCc1c([nH]nc1C)C
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NCCc1c(C)n[nH]c1C
• InChI: InChI=1S/C20H26N4O/c1-11-8-12(2)20-18(9-11)17(13(3)22-20)10-19(25)21-7-6-16-14(4)23-24-15(16)5/h8-9,22H,6-7,10H2,1-5H3,(H,21,25)(H,23,24)
• InChIKey: BQTDFPLGMWRZCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.103927
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.9977503
• LogD (pH = 7.4): 3.0011005
• Log P: 3.0011435
• Molar Refractivity: 103.1993 cm^3
• Polarizability: 39.33253 Å^3
• Polar Surface Area: 73.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 3.04
• LOG S: -4.26
• Polar Surface Area: 73.57 Å^2
• Rotatable Bonds: 5