1-[2-(piperidin-1-yl)ethyl]-1H-pyrazol-4-amine

• ChemBase ID: 118091
• Molecular Formular: C10H18N4
• Molecular Mass: 194.27672
• Monoisotopic Mass: 194.1531466
• SMILES: n1n(cc(c1)N)CCN1CCCCC1
• Canonical SMILES: Nc1cnn(c1)CCN1CCCCC1
• InChI: InChI=1S/C10H18N4/c11-10-8-12-14(9-10)7-6-13-4-2-1-3-5-13/h8-9H,1-7,11H2
• InChIKey: GPRKMRZDNYXLKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(piperidin-1-yl)ethyl]-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-[2-(piperidin-1-yl)ethyl]pyrazol-4-amine
• Synonyms: 1-(2-Piperidin-1-ylethyl)-1H-pyrazol-4-amine dihydrochloride

Database IDs

• PubChem SID: 162105802
• PubChem CID: 42281882

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6996832
• LogD (pH = 7.4): -1.057716
• Log P: 0.44119057
• Molar Refractivity: 69.8229 cm^3
• Polarizability: 21.8792 Å^3
• Polar Surface Area: 47.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.06

Product Information

• Purity: 95+%
• Salt Data: 2 HCl