N-[(5-ethylpyridin-2-yl)methyl]-N,5-dimethyl-1-propyl-1H-pyrazole-4-carboxamide

• ChemBase ID: 841895
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c1(C(=O)N(Cc2ncc(cc2)CC)C)c(n(nc1)CCC)C
• Canonical SMILES: CCCn1ncc(c1C)C(=O)N(Cc1ccc(cn1)CC)C
• InChI: InChI=1S/C17H24N4O/c1-5-9-21-13(3)16(11-19-21)17(22)20(4)12-15-8-7-14(6-2)10-18-15/h7-8,10-11H,5-6,9,12H2,1-4H3
• InChIKey: JBCDBEAMXXJQMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethylpyridin-2-yl)methyl]-N,5-dimethyl-1-propyl-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: N-[(5-ethylpyridin-2-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
• Synonyms: N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-1-propyl-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2753758
• LogD (pH = 7.4): 2.323599
• Log P: 2.3242526
• Molar Refractivity: 99.8312 cm^3
• Polarizability: 33.16238 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.6
• LOG S: -1.46
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 6