[6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridin-3-yl]methanamine

• ChemBase ID: 259386
• Molecular Formular: C11H14N4
• Molecular Mass: 202.25566
• Monoisotopic Mass: 202.12184647
• SMILES: n1(nc(cc1C)C)c1ncc(cc1)CN
• Canonical SMILES: NCc1ccc(nc1)n1nc(cc1C)C
• InChI: InChI=1S/C11H14N4/c1-8-5-9(2)15(14-8)11-4-3-10(6-12)7-13-11/h3-5,7H,6,12H2,1-2H3
• InChIKey: XGHDHYFXORRTKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methanamine
• Synonyms: [6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD09734351
• PubChem SID: 164315296
• PubChem CID: 16787591

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.063481
• LogD (pH = 7.4): -0.9262073
• Log P: 0.89254934
• Molar Refractivity: 60.7909 cm^3
• Polarizability: 22.726309 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.952

Product Information

• Purity: 95%