Aminopyrine

C₁₃H₁₇N₃O — CID 6009

About Aminopyrine

Aminopyrine (PubChem CID 6009) has the molecular formula C₁₃H₁₇N₃O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

• Compound Name: Aminopyrine
• PubChem CID: 6009
• Molecular Formula: C₁₃H₁₇N₃O
• Molecular Weight: 231.30 g/mol
• Exact Mass: 231.14
• IUPAC Name: 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
• SMILES: Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
• InChIKey: RMMXTBMQSGEXHJ-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 30.17 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.30
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Aminopyrine?

The IUPAC name of Aminopyrine (CID 6009) is 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.

What is the SMILES notation for Aminopyrine?

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

What is the InChIKey of Aminopyrine?

The InChIKey is RMMXTBMQSGEXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3.

What are the key properties of Aminopyrine?

Aminopyrine has a molecular weight of 231.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Aminopyrine is sourced from PubChem (CID 6009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6009 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 171 — approved-drug record (CC BY-SA 4.0)

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