2-(1-methyl-1H-pyrazol-5-yl)piperidine

• ChemBase ID: 308136
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: c1(n(ncc1)C)C1NCCCC1
• Canonical SMILES: Cn1nccc1C1CCCCN1
• InChI: InChI=1S/C9H15N3/c1-12-9(5-7-11-12)8-4-2-3-6-10-8/h5,7-8,10H,2-4,6H2,1H3
• InChIKey: PDHQNRUUIJHWGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-pyrazol-5-yl)piperidine
• IUPAC Traditional name: 2-(2-methylpyrazol-3-yl)piperidine
• Synonyms: 2-(1-methyl-1H-pyrazol-5-yl)piperidine

Database IDs

• MDL Number: MFCD19620974

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1379716
• LogD (pH = 7.4): -0.5408343
• Log P: 0.78958905
• Molar Refractivity: 59.8991 cm^3
• Polarizability: 18.897932 Å^3
• Polar Surface Area: 29.85 Å^2