2-(1H-pyrazol-1-yl)pyridin-3-amine

• ChemBase ID: 255736
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: c1(n2nccc2)ncccc1N
• Canonical SMILES: Nc1cccnc1n1cccn1
• InChI: InChI=1S/C8H8N4/c9-7-3-1-4-10-8(7)12-6-2-5-11-12/h1-6H,9H2
• InChIKey: OLJHIAMBSGGNIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-pyrazol-1-yl)pyridin-3-amine
• IUPAC Traditional name: 2-(pyrazol-1-yl)pyridin-3-amine
• Synonyms: 2-(1H-pyrazol-1-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD08700187
• PubChem SID: 164311646
• PubChem CID: 16228735

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6065207
• LogD (pH = 7.4): 0.6069184
• Log P: 0.60692346
• Molar Refractivity: 47.2767 cm^3
• Polarizability: 16.977016 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67°C
• Hydrophobicity(logP): 1.054

Product Information

• Purity: 95%