[2-(1H-pyrazol-1-yl)pyridin-4-yl]methanamine

• ChemBase ID: 255755
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: n1(c2nccc(c2)CN)nccc1
• Canonical SMILES: NCc1ccnc(c1)n1cccn1
• InChI: InChI=1S/C9H10N4/c10-7-8-2-4-11-9(6-8)13-5-1-3-12-13/h1-6H,7,10H2
• InChIKey: WZVBELCNOMMBDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1H-pyrazol-1-yl)pyridin-4-yl]methanamine
• IUPAC Traditional name: [2-(pyrazol-1-yl)pyridin-4-yl]methanamine
• Synonyms: [2-(1H-pyrazol-1-yl)pyridin-4-yl]methylamine

Database IDs

• MDL Number: MFCD09727797
• PubChem SID: 164311665
• PubChem CID: 16781103

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4025733
• LogD (pH = 7.4): -1.3101213
• Log P: 0.56161785
• Molar Refractivity: 51.0497 cm^3
• Polarizability: 19.200493 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44 - 46°C
• Hydrophobicity(logP): 0.414

Product Information

• Purity: 95%