1-(3-fluoropyridin-2-yl)-1H-pyrazol-4-amine

• ChemBase ID: 239270
• Molecular Formular: C8H7FN4
• Molecular Mass: 178.1663832
• Monoisotopic Mass: 178.06547446
• SMILES: n1(ncc(c1)N)c1ncccc1F
• Canonical SMILES: Nc1cnn(c1)c1ncccc1F
• InChI: InChI=1S/C8H7FN4/c9-7-2-1-3-11-8(7)13-5-6(10)4-12-13/h1-5H,10H2
• InChIKey: XHUYIXCDPYGWDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluoropyridin-2-yl)-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-(3-fluoropyridin-2-yl)pyrazol-4-amine
• Synonyms: 1-(3-fluoropyridin-2-yl)-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD16859677
• PubChem SID: 164295180
• PubChem CID: 62734561

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7496134
• LogD (pH = 7.4): 0.74962527
• Log P: 0.7496254
• Molar Refractivity: 47.4931 cm^3
• Polarizability: 16.705278 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.407

Product Information

• Purity: 95%