1-(piperidin-4-yl)-1H-pyrazol-5-amine

• ChemBase ID: 30994
• Molecular Formular: C8H14N4
• Molecular Mass: 166.22356
• Monoisotopic Mass: 166.12184647
• SMILES: n1(c(ccn1)N)C1CCNCC1
• Canonical SMILES: Nc1ccnn1C1CCNCC1
• InChI: InChI=1S/C8H14N4/c9-8-3-6-11-12(8)7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5,9H2
• InChIKey: ASLYKKYZWBQKLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-(piperidin-4-yl)pyrazol-3-amine
• Synonyms: 2-Piperidin-4-yl-2H-pyrazol-3-ylamine

Database IDs

• CAS Number: 957478-21-6
• MDL Number: MFCD06011101
• PubChem SID: 160994301
• PubChem CID: 649859

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9224725
• LogD (pH = 7.4): -3.3032131
• Log P: -0.6947709
• Molar Refractivity: 59.0715 cm^3
• Polarizability: 18.195694 Å^3
• Polar Surface Area: 55.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false