4-(2,6-dimethylmorpholine-4-carbonyl)-1-methyl-1H-pyrazol-5-amine

• ChemBase ID: 261864
• Molecular Formular: C11H18N4O2
• Molecular Mass: 238.28622
• Monoisotopic Mass: 238.14297584
• SMILES: c1(c(n(nc1)C)N)C(=O)N1CC(OC(C1)C)C
• Canonical SMILES: CC1OC(C)CN(C1)C(=O)c1cnn(c1N)C
• InChI: InChI=1S/C11H18N4O2/c1-7-5-15(6-8(2)17-7)11(16)9-4-13-14(3)10(9)12/h4,7-8H,5-6,12H2,1-3H3
• InChIKey: DLTXKUHONLIMBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,6-dimethylmorpholine-4-carbonyl)-1-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 4-(2,6-dimethylmorpholine-4-carbonyl)-2-methylpyrazol-3-amine
• Synonyms: 4-[(2,6-dimethylmorpholin-4-yl)carbonyl]-1-methyl-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD12913012
• PubChem SID: 164317774
• PubChem CID: 45791918

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.22370806
• LogD (pH = 7.4): 0.22410785
• Log P: 0.22411296
• Molar Refractivity: 75.699 cm^3
• Polarizability: 23.94442 Å^3
• Polar Surface Area: 73.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): -0.576

Product Information

• Purity: 95%