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

• ChemBase ID: 267515
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: c1(cn(nc1)C)C1CCNCC1
• Canonical SMILES: Cn1ncc(c1)C1CCNCC1
• InChI: InChI=1S/C9H15N3/c1-12-7-9(6-11-12)8-2-4-10-5-3-8/h6-8,10H,2-5H2,1H3
• InChIKey: IUDLSNKWDQBFQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11899351
• PubChem SID: 164323425
• PubChem CID: 50988986

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7118397
• LogD (pH = 7.4): -1.993783
• Log P: 0.5061708
• Molar Refractivity: 60.3824 cm^3
• Polarizability: 18.821945 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.228

Product Information

• Purity: 95%