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

• ChemBase ID: 271420
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1(ncc(c1)C)C1CNCCC1
• Canonical SMILES: Cc1cnn(c1)C1CCCNC1
• InChI: InChI=1S/C9H15N3/c1-8-5-11-12(7-8)9-3-2-4-10-6-9/h5,7,9-10H,2-4,6H2,1H3
• InChIKey: FWDVJOKDANNSCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14632022
• PubChem SID: 164327330
• PubChem CID: 54592641

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1864908
• LogD (pH = 7.4): -1.291189
• Log P: 1.0156884
• Molar Refractivity: 59.9382 cm^3
• Polarizability: 18.823143 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.657

Product Information

• Purity: 95%