1-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-amine

• ChemBase ID: 238750
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: c1(n(ncc1N)C)c1ncccc1
• Canonical SMILES: Nc1cnn(c1c1ccccn1)C
• InChI: InChI=1S/C9H10N4/c1-13-9(7(10)6-12-13)8-4-2-3-5-11-8/h2-6H,10H2,1H3
• InChIKey: NTRKDULBNKDXMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-methyl-5-(pyridin-2-yl)pyrazol-4-amine
• Synonyms: 1-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD22378625
• PubChem SID: 164294660
• PubChem CID: 71756229

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.30112496
• LogD (pH = 7.4): 0.30750233
• Log P: 0.30758432
• Molar Refractivity: 62.1466 cm^3
• Polarizability: 20.088604 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.38

Product Information

• Purity: 95%