2-(4-methyl-1H-pyrazol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]propanamide

• ChemBase ID: 820792
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: n1(ncc(c1)C)C(C(=O)NCc1c2[nH]c(c(c2cc(c1)C)C)C)C
• Canonical SMILES: Cc1cc(CNC(=O)C(n2ncc(c2)C)C)c2c(c1)c(C)c([nH]2)C
• InChI: InChI=1S/C19H24N4O/c1-11-6-16(18-17(7-11)13(3)14(4)22-18)9-20-19(24)15(5)23-10-12(2)8-21-23/h6-8,10,15,22H,9H2,1-5H3,(H,20,24)
• InChIKey: ZNDJVRBINPJARN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.39884
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4275513
• LogD (pH = 7.4): 3.4276462
• Log P: 3.4276476
• Molar Refractivity: 108.2312 cm^3
• Polarizability: 37.5703 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: 3.04
• LOG S: -4.16
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 4