2-(4-amino-1H-pyrazol-1-yl)-1-(morpholin-4-yl)ethan-1-one

• ChemBase ID: 278661
• Molecular Formular: C9H14N4O2
• Molecular Mass: 210.23306
• Monoisotopic Mass: 210.11167571
• SMILES: n1(ncc(c1)N)CC(=O)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)Cn1ncc(c1)N
• InChI: InChI=1S/C9H14N4O2/c10-8-5-11-13(6-8)7-9(14)12-1-3-15-4-2-12/h5-6H,1-4,7,10H2
• InChIKey: BDPBFZLHTOIMGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-amino-1H-pyrazol-1-yl)-1-(morpholin-4-yl)ethan-1-one
• IUPAC Traditional name: 2-(4-aminopyrazol-1-yl)-1-(morpholin-4-yl)ethanone
• Synonyms: 2-(4-amino-1H-pyrazol-1-yl)-1-(morpholin-4-yl)ethan-1-one

Database IDs

• MDL Number: MFCD11129211
• PubChem SID: 164334571
• PubChem CID: 28379282

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5279602
• LogD (pH = 7.4): -1.5279281
• Log P: -1.5279278
• Molar Refractivity: 66.4365 cm^3
• Polarizability: 20.567608 Å^3
• Polar Surface Area: 73.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.871

Product Information

• Purity: 95%