4-(4-methyl-1H-pyrazol-3-yl)piperidine

• ChemBase ID: 309893
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: c1(n[nH]cc1C)C1CCNCC1
• Canonical SMILES: Cc1c[nH]nc1C1CCNCC1
• InChI: InChI=1S/C9H15N3/c1-7-6-11-12-9(7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12)
• InChIKey: LFOBDIZBSQDVSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methyl-1H-pyrazol-3-yl)piperidine
• IUPAC Traditional name: 4-(4-methyl-1H-pyrazol-3-yl)piperidine
• Synonyms: 4-(4-methyl-1H-pyrazol-3-yl)piperidine

Database IDs

• MDL Number: MFCD18381495

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1902213
• LogD (pH = 7.4): -1.4398615
• Log P: 1.0257993
• Molar Refractivity: 49.8097 cm^3
• Polarizability: 18.82339 Å^3
• Polar Surface Area: 40.71 Å^2