N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-(trimethyl-1H-pyrazol-4-yl)ethanediamide

• ChemBase ID: 224062
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: c1(c(n(nc1C)C)C)NC(=O)C(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)C(=O)Nc1c(C)nn(c1C)C)c[nH]2
• InChI: InChI=1S/C19H23N5O3/c1-11-17(12(2)24(3)23-11)22-19(26)18(25)20-8-7-13-10-21-16-6-5-14(27-4)9-15(13)16/h5-6,9-10,21H,7-8H2,1-4H3,(H,20,25)(H,22,26)
• InChIKey: SOCMICORZIDKEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-(trimethyl-1H-pyrazol-4-yl)ethanediamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-(trimethylpyrazol-4-yl)ethanediamide

Database IDs

• PubChem SID: 164279972
• PubChem CID: 49652703

CALCULATED PROPERTIES

• Acid pKa: 9.996283
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.2995449
• LogD (pH = 7.4): 1.299247
• Log P: 1.3003004
• Molar Refractivity: 114.9967 cm^3
• Polarizability: 39.50902 Å^3
• Polar Surface Area: 101.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds