Antipyrine

C₁₁H₁₂N₂O — CID 2206

About Antipyrine

Antipyrine (PubChem CID 2206) has the molecular formula C₁₁H₁₂N₂O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

• Compound Name: Antipyrine
• PubChem CID: 2206
• Molecular Formula: C₁₁H₁₂N₂O
• Molecular Weight: 188.23 g/mol
• Exact Mass: 188.09
• IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one
• SMILES: Cc1cc(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
• InChIKey: VEQOALNAAJBPNY-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 26.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.23
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Antipyrine?

The IUPAC name of Antipyrine (CID 2206) is 1,5-dimethyl-2-phenylpyrazol-3-one.

What is the SMILES notation for Antipyrine?

The canonical SMILES for Antipyrine is Cc1cc(=O)n(-c2ccccc2)n1C.

What is the InChIKey of Antipyrine?

The InChIKey is VEQOALNAAJBPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3.

What are the key properties of Antipyrine?

Antipyrine has a molecular weight of 188.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Antipyrine is sourced from PubChem (CID 2206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2206 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 861 — approved-drug record (CC BY-SA 4.0)

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