N-methyl-N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-(1H-pyrazol-1-yl)butanamide

• ChemBase ID: 779351
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: n1(c(cc2c1cccc2)C)CCN(C(=O)C(n1nccc1)CC)C
• Canonical SMILES: CCC(C(=O)N(CCn1c(C)cc2c1cccc2)C)n1cccn1
• InChI: InChI=1S/C19H24N4O/c1-4-17(23-11-7-10-20-23)19(24)21(3)12-13-22-15(2)14-16-8-5-6-9-18(16)22/h5-11,14,17H,4,12-13H2,1-3H3
• InChIKey: GKPGPUJHPBSJCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-(1H-pyrazol-1-yl)butanamide
• IUPAC Traditional name: N-methyl-N-[2-(2-methylindol-1-yl)ethyl]-2-(pyrazol-1-yl)butanamide
• Synonyms: N-methyl-N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-(1H-pyrazol-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.934401
• LogD (pH = 7.4): 2.9345043
• Log P: 2.9345057
• Molar Refractivity: 106.9014 cm^3
• Polarizability: 37.81252 Å^3
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.16
• LOG S: -4.26
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 6