2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine

C31H37N3O — CID 140717143

About 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine

2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine (PubChem CID 140717143) has the molecular formula C31H37N3O and a molecular weight of 467.66 g/mol. Its IUPAC name is 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine
• PubChem CID: 140717143
• Molecular Formula: C31H37N3O
• Molecular Weight: 467.66 g/mol
• Exact Mass: 467.29
• IUPAC Name: 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine
• SMILES: Cc1cc(C)n(-c2cccc(Oc3cccc(C(c4ccccn4)(C(C)(C)C)C(C)(C)C)c3)c2)n1
• InChI: InChI=1S/C31H37N3O/c1-22-19-23(2)34(33-22)25-14-12-16-27(21-25)35-26-15-11-13-24(20-26)31(29(3,4)5,30(6,7)8)28-17-9-10-18-32-28/h9-21H,1-8H3
• InChIKey: UUEFABXASQGRHJ-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.66
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine?

The IUPAC name of 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine (CID 140717143) is 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine.

What is the SMILES notation for 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine?

The canonical SMILES for 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine is Cc1cc(C)n(-c2cccc(Oc3cccc(C(c4ccccn4)(C(C)(C)C)C(C)(C)C)c3)c2)n1.

What is the InChIKey of 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine?

The InChIKey is UUEFABXASQGRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O/c1-22-19-23(2)34(33-22)25-14-12-16-27(21-25)35-26-15-11-13-24(20-26)31(29(3,4)5,30(6,7)8)28-17-9-10-18-32-28/h9-21H,1-8H3.

What are the key properties of 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine?

2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine has a molecular weight of 467.66 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine is sourced from PubChem (CID 140717143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).