1-ethyl-N-(2-methoxyethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide

• ChemBase ID: 785873
• Molecular Formular: C16H22N4O2
• Molecular Mass: 302.37148
• Monoisotopic Mass: 302.17427596
• SMILES: c1(C(=O)N(Cc2ccncc2)CCOC)c(n(nc1)CC)C
• Canonical SMILES: COCCN(C(=O)c1cnn(c1C)CC)Cc1ccncc1
• InChI: InChI=1S/C16H22N4O2/c1-4-20-13(2)15(11-18-20)16(21)19(9-10-22-3)12-14-5-7-17-8-6-14/h5-8,11H,4,9-10,12H2,1-3H3
• InChIKey: ZPEKQIFIZAYBDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-(2-methoxyethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 1-ethyl-N-(2-methoxyethyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
• Synonyms: 1-ethyl-N-(2-methoxyethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.60564834
• LogD (pH = 7.4): 0.71367264
• Log P: 0.71529275
• Molar Refractivity: 97.2307 cm^3
• Polarizability: 32.1033 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.1
• LOG S: -1.5
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 7