2-[4-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazol-1-yl]-N-(2-ethyl-2H-1,2,3-triazol-4-yl)acetamide

• ChemBase ID: 717748
• Molecular Formular: C19H24N6O3
• Molecular Mass: 384.43226
• Monoisotopic Mass: 384.19098866
• SMILES: n1(nc(c(c1C)c1cc(c(cc1)OC)OC)C)CC(=O)Nc1nn(nc1)CC
• Canonical SMILES: COc1cc(ccc1OC)c1c(C)nn(c1C)CC(=O)Nc1cnn(n1)CC
• InChI: InChI=1S/C19H24N6O3/c1-6-25-20-10-17(23-25)21-18(26)11-24-13(3)19(12(2)22-24)14-7-8-15(27-4)16(9-14)28-5/h7-10H,6,11H2,1-5H3,(H,21,23,26)
• InChIKey: RYXGFSRAJZPOPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazol-1-yl]-N-(2-ethyl-2H-1,2,3-triazol-4-yl)acetamide
• IUPAC Traditional name: 2-[4-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyl-1,2,3-triazol-4-yl)acetamide
• Synonyms: 2-[4-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazol-1-yl]-N-(2-ethyl-2H-1,2,3-triazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.826641
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6783775
• LogD (pH = 7.4): 1.6794605
• Log P: 1.6796309
• Molar Refractivity: 130.0212 cm^3
• Polarizability: 40.653187 Å^3
• Polar Surface Area: 96.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.48
• LOG S: -3.27
• Polar Surface Area: 96.09 Å^2
• Rotatable Bonds: 7