1-(1-methyl-1H-pyrazol-4-yl)-2-(piperazin-1-yl)ethan-1-ol

• ChemBase ID: 285180
• Molecular Formular: C10H18N4O
• Molecular Mass: 210.27612
• Monoisotopic Mass: 210.14806122
• SMILES: c1(cn(nc1)C)C(CN1CCNCC1)O
• Canonical SMILES: Cn1ncc(c1)C(CN1CCNCC1)O
• InChI: InChI=1S/C10H18N4O/c1-13-7-9(6-12-13)10(15)8-14-4-2-11-3-5-14/h6-7,10-11,15H,2-5,8H2,1H3
• InChIKey: UZVSLFZMKCBMER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methyl-1H-pyrazol-4-yl)-2-(piperazin-1-yl)ethan-1-ol
• IUPAC Traditional name: 1-(1-methylpyrazol-4-yl)-2-(piperazin-1-yl)ethanol
• Synonyms: 1-(1-methyl-1H-pyrazol-4-yl)-2-(piperazin-1-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD20731208
• PubChem SID: 180670711
• PubChem CID: 56828099

CALCULATED PROPERTIES

• Acid pKa: 13.795359
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.963257
• LogD (pH = 7.4): -2.643149
• Log P: -0.8237607
• Molar Refractivity: 70.222 cm^3
• Polarizability: 22.887634 Å^3
• Polar Surface Area: 53.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.119

Product Information

• Purity: 95%