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

• ChemBase ID: 265053
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1(nccc1)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)n1cccn1
• InChI: InChI=1S/C8H13N3/c1-4-10-11(7-1)8-2-5-9-6-3-8/h1,4,7-9H,2-3,5-6H2
• InChIKey: WGNPNAOPVBYTKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 762240-09-5
• MDL Number: MFCD09998987
• PubChem SID: 164320963
• PubChem CID: 21193045

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1795661
• LogD (pH = 7.4): -2.5636106
• Log P: 0.044864062
• Molar Refractivity: 55.1178 cm^3
• Polarizability: 17.05874 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.131

Product Information

• Purity: 95%; 95+%; 98%