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

• ChemBase ID: 735090
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(C(=O)N(Cc2ncccc2)CC2OCCC2)c(n(nc1)CC)C
• Canonical SMILES: CCn1ncc(c1C)C(=O)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C18H24N4O2/c1-3-22-14(2)17(11-20-22)18(23)21(13-16-8-6-10-24-16)12-15-7-4-5-9-19-15/h4-5,7,9,11,16H,3,6,8,10,12-13H2,1-2H3
• InChIKey: FFIIFSZTPLCTSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2446132
• LogD (pH = 7.4): 1.2621013
• Log P: 1.2623292
• Molar Refractivity: 103.9197 cm^3
• Polarizability: 35.056805 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.46
• LOG S: -1.54
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 6