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

• ChemBase ID: 246574
• Molecular Formular: C10H19ClN4
• Molecular Mass: 230.73766
• Monoisotopic Mass: 230.12982431
• SMILES: n1n(cc(c1)N)CCN1CCCCC1.Cl
• Canonical SMILES: Nc1cnn(c1)CCN1CCCCC1.Cl
• InChI: InChI=1S/C10H18N4.ClH/c11-10-8-12-14(9-10)7-6-13-4-2-1-3-5-13;/h8-9H,1-7,11H2;1H
• InChIKey: XZWKCTJQLHQSLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164302484
• PubChem CID: 71758026

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

• Hydrophobicity(logP): 0.742

Product Information

• Purity: 95%