About 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine
3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine (PubChem CID 141365269) has the molecular formula C15H13N3
and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine.
Molecular Properties
| Compound Name | 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine |
| PubChem CID | 141365269 |
| Molecular Formula | C15H13N3 |
| Molecular Weight | 235.29 g/mol |
| Exact Mass | 235.11 |
| IUPAC Name | 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine |
| SMILES | Cc1cc(-c2ccc(-c3cccnc3)cc2)n[nH]1 |
| InChI | InChI=1S/C15H13N3/c1-11-9-15(18-17-11)13-6-4-12(5-7-13)14-3-2-8-16-10-14/h2-10H,1H3,(H,17,18) |
| InChIKey | FYIQMXFVMYVYBD-UHFFFAOYSA-N |
| XLogP | 3.45 |
| TPSA | 41.57 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 235.29 |
| LogP ≤ 5 | 3.45 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine?
The IUPAC name of 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine (CID 141365269) is 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine.
What is the SMILES notation for 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine?
The canonical SMILES for 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine is Cc1cc(-c2ccc(-c3cccnc3)cc2)n[nH]1.
What is the InChIKey of 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine?
The InChIKey is FYIQMXFVMYVYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-9-15(18-17-11)13-6-4-12(5-7-13)14-3-2-8-16-10-14/h2-10H,1H3,(H,17,18).
What are the key properties of 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine?
3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine has a molecular weight of 235.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine is sourced from PubChem (CID 141365269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).