1-(pyridin-2-yl)-1H-pyrazol-4-amine

• ChemBase ID: 277406
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: n1(ncc(c1)N)c1ncccc1
• Canonical SMILES: Nc1cnn(c1)c1ccccn1
• InChI: InChI=1S/C8H8N4/c9-7-5-11-12(6-7)8-3-1-2-4-10-8/h1-6H,9H2
• InChIKey: MKNNPOHQZOTMHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-(pyridin-2-yl)pyrazol-4-amine
• Synonyms: 1-(pyridin-2-yl)-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD01692454
• PubChem SID: 164333316
• PubChem CID: 206681

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6067065
• LogD (pH = 7.4): 0.6069207
• Log P: 0.60692346
• Molar Refractivity: 47.2767 cm^3
• Polarizability: 16.975245 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 0.243

Product Information

• Purity: 95%