6-(1-methyl-1H-pyrazol-4-yl)pyridin-2-amine

• ChemBase ID: 285957
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: c1(cn(nc1)C)c1nc(N)ccc1
• Canonical SMILES: Nc1cccc(n1)c1cnn(c1)C
• InChI: InChI=1S/C9H10N4/c1-13-6-7(5-11-13)8-3-2-4-9(10)12-8/h2-6H,1H3,(H2,10,12)
• InChIKey: MONYHUKWIKPNAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(1-methyl-1H-pyrazol-4-yl)pyridin-2-amine
• IUPAC Traditional name: 6-(1-methylpyrazol-4-yl)pyridin-2-amine
• Synonyms: 6-(1-methyl-1H-pyrazol-4-yl)pyridin-2-amine

Database IDs

• MDL Number: MFCD12824159
• PubChem SID: 180671488
• PubChem CID: 61025761

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.71818453
• LogD (pH = 7.4): 0.97745216
• Log P: 0.9820407
• Molar Refractivity: 62.5826 cm^3
• Polarizability: 20.105608 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132 - 134°C
• Hydrophobicity(logP): 0.637

Product Information

• Purity: 95%