Propyphenazone

C₁₄H₁₈N₂O — CID 3778

About Propyphenazone

Propyphenazone (PubChem CID 3778) has the molecular formula C₁₄H₁₈N₂O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one.

Molecular Properties

• Compound Name: Propyphenazone
• PubChem CID: 3778
• Molecular Formula: C₁₄H₁₈N₂O
• Molecular Weight: 230.31 g/mol
• Exact Mass: 230.14
• IUPAC Name: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
• SMILES: Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
• InChIKey: PXWLVJLKJGVOKE-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 26.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.31
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Propyphenazone?

The IUPAC name of Propyphenazone (CID 3778) is 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one.

What is the SMILES notation for Propyphenazone?

The canonical SMILES for Propyphenazone is Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of Propyphenazone?

The InChIKey is PXWLVJLKJGVOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3.

What are the key properties of Propyphenazone?

Propyphenazone has a molecular weight of 230.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Propyphenazone is sourced from PubChem (CID 3778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3778 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2309 — approved-drug record (CC BY-SA 4.0)

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