4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine

C₁₇H₁₇N₃ — CID 123700183

About 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine

4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine (PubChem CID 123700183) has the molecular formula C₁₇H₁₇N₃ and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine.

Molecular Properties

• Compound Name: 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine
• PubChem CID: 123700183
• Molecular Formula: C₁₇H₁₇N₃
• Molecular Weight: 263.34 g/mol
• Exact Mass: 263.14
• IUPAC Name: 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine
• SMILES: CCc1ccc(-c2cnn(Cc3ccncc3)c2)cc1
• InChI: InChI=1S/C17H17N3/c1-2-14-3-5-16(6-4-14)17-11-19-20(13-17)12-15-7-9-18-10-8-15/h3-11,13H,2,12H2,1H3
• InChIKey: GBDMIGCCNYCDBZ-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.34
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine?

The IUPAC name of 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine (CID 123700183) is 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine.

What is the SMILES notation for 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine?

The canonical SMILES for 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine is CCc1ccc(-c2cnn(Cc3ccncc3)c2)cc1.

What is the InChIKey of 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine?

The InChIKey is GBDMIGCCNYCDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-14-3-5-16(6-4-14)17-11-19-20(13-17)12-15-7-9-18-10-8-15/h3-11,13H,2,12H2,1H3.

What are the key properties of 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine?

4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine has a molecular weight of 263.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 123700183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123700183 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.