N-ethyl-N-(2-methylprop-2-en-1-yl)-3-(trimethyl-1H-pyrazol-4-yl)propanamide

• ChemBase ID: 832516
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: n1n(c(c(c1C)CCC(=O)N(CC(=C)C)CC)C)C
• Canonical SMILES: CCN(C(=O)CCc1c(C)nn(c1C)C)CC(=C)C
• InChI: InChI=1S/C15H25N3O/c1-7-18(10-11(2)3)15(19)9-8-14-12(4)16-17(6)13(14)5/h2,7-10H2,1,3-6H3
• InChIKey: KDJBQBGVCCTXLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(2-methylprop-2-en-1-yl)-3-(trimethyl-1H-pyrazol-4-yl)propanamide
• IUPAC Traditional name: N-ethyl-N-(2-methylprop-2-en-1-yl)-3-(trimethylpyrazol-4-yl)propanamide
• Synonyms: N-ethyl-N-(2-methylprop-2-en-1-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7836624
• LogD (pH = 7.4): 1.786151
• Log P: 1.7861829
• Molar Refractivity: 90.4201 cm^3
• Polarizability: 29.958641 Å^3
• Polar Surface Area: 38.13 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: 1.32
• LOG S: -2.25
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 6