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

• ChemBase ID: 695540
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: n1(c(cc2c1cccc2)C)CCC(=O)NCCc1c([nH]nc1C)C
• Canonical SMILES: O=C(CCn1c(C)cc2c1cccc2)NCCc1c(C)n[nH]c1C
• InChI: InChI=1S/C19H24N4O/c1-13-12-16-6-4-5-7-18(16)23(13)11-9-19(24)20-10-8-17-14(2)21-22-15(17)3/h4-7,12H,8-11H2,1-3H3,(H,20,24)(H,21,22)
• InChIKey: WENVXMPBRGUCKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.111102
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2718313
• LogD (pH = 7.4): 2.2751815
• Log P: 2.2752244
• Molar Refractivity: 97.49 cm^3
• Polarizability: 37.648537 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.6
• LOG S: -3.79
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 6