N-[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 547737
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NC(Cc1[nH]nc(c1)C)C
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NC(Cc1[nH]nc(c1)C)C
• InChI: InChI=1S/C20H26N4O/c1-11-6-12(2)20-18(7-11)17(15(5)22-20)10-19(25)21-13(3)8-16-9-14(4)23-24-16/h6-7,9,13,22H,8,10H2,1-5H3,(H,21,25)(H,23,24)
• InChIKey: GMLLEGQOKMKGEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.843852
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.9081316
• LogD (pH = 7.4): 2.90944
• Log P: 2.9094567
• Molar Refractivity: 102.4563 cm^3
• Polarizability: 39.413708 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: 2.67
• LOG S: -3.95
• Polar Surface Area: 73.57 Å^2
• Rotatable Bonds: 5