1-(methoxymethyl)-N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]cyclobutane-1-carboxamide

• ChemBase ID: 529393
• Molecular Formular: C13H21N3O2
• Molecular Mass: 251.32474
• Monoisotopic Mass: 251.16337693
• SMILES: C(=O)(C1(COC)CCC1)N(CCn1nccc1)C
• Canonical SMILES: COCC1(CCC1)C(=O)N(CCn1cccn1)C
• InChI: InChI=1S/C13H21N3O2/c1-15(9-10-16-8-4-7-14-16)12(17)13(11-18-2)5-3-6-13/h4,7-8H,3,5-6,9-11H2,1-2H3
• InChIKey: UQMHYXVHZAVADU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]cyclobutane-1-carboxamide
• IUPAC Traditional name: 1-(methoxymethyl)-N-methyl-N-[2-(pyrazol-1-yl)ethyl]cyclobutane-1-carboxamide
• Synonyms: 1-(methoxymethyl)-N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7892465
• LogD (pH = 7.4): 0.78937757
• Log P: 0.7893793
• Molar Refractivity: 80.2788 cm^3
• Polarizability: 26.738516 Å^3
• Polar Surface Area: 47.36 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: 0.09
• LOG S: -2.42
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6