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

• ChemBase ID: 362374
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: n1(nc(cc1C)C)CCC(=O)NCc1cc2c(c([nH]c2cc1)C)C
• Canonical SMILES: O=C(CCn1nc(cc1C)C)NCc1ccc2c(c1)c(C)c([nH]2)C
• InChI: InChI=1S/C19H24N4O/c1-12-9-13(2)23(22-12)8-7-19(24)20-11-16-5-6-18-17(10-16)14(3)15(4)21-18/h5-6,9-10,21H,7-8,11H2,1-4H3,(H,20,24)
• InChIKey: DUCPMRIHYDEJGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
• IUPAC Traditional name: N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
• Synonyms: N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.739159
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3969538
• LogD (pH = 7.4): 2.3999465
• Log P: 2.3999846
• Molar Refractivity: 108.0955 cm^3
• Polarizability: 37.566624 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.9
• LOG S: -5.61
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 5