2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine

• ChemBase ID: 255207
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: n1(nc(cc1C)C)c1ncccc1
• Canonical SMILES: Cc1nn(c(c1)C)c1ccccn1
• InChI: InChI=1S/C10H11N3/c1-8-7-9(2)13(12-8)10-5-3-4-6-11-10/h3-7H,1-2H3
• InChIKey: DQJACDPPPOAZOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine
• IUPAC Traditional name: 2-(3,5-dimethylpyrazol-1-yl)pyridine
• Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine

Database IDs

• MDL Number: MFCD01552547
• PubChem SID: 164311117
• PubChem CID: 676764

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7658427
• LogD (pH = 7.4): 1.766769
• Log P: 1.766781
• Molar Refractivity: 52.3175 cm^3
• Polarizability: 19.361603 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.049

Product Information

• Purity: 95%