dimethyl({2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]ethyl})amine

• ChemBase ID: 618133
• Molecular Formular: C13H22N4O2
• Molecular Mass: 266.33938
• Monoisotopic Mass: 266.17427596
• SMILES: c1(n[nH]c(c1)C)C(=O)N1CC(OCC1)CCN(C)C
• Canonical SMILES: CN(CCC1OCCN(C1)C(=O)c1n[nH]c(c1)C)C
• InChI: InChI=1S/C13H22N4O2/c1-10-8-12(15-14-10)13(18)17-6-7-19-11(9-17)4-5-16(2)3/h8,11H,4-7,9H2,1-3H3,(H,14,15)
• InChIKey: PGHBZDQSFINQOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]ethyl})amine
• IUPAC Traditional name: dimethyl({2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]ethyl})amine
• Synonyms: N,N-dimethyl-2-{4-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-2-morpholinyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): -3.1810615
• LogD (pH = 7.4): -1.6540921
• Log P: -0.026662318
• Molar Refractivity: 75.0241 cm^3
• Polarizability: 27.989683 Å^3
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 10.89098
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 1
• Log P: 0.24
• LOG S: -1.2
• Polar Surface Area: 61.46 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4