Betazole

C₅H₉N₃ — CID 7741

About Betazole

Betazole (PubChem CID 7741) has the molecular formula C₅H₉N₃ and a molecular weight of 111.15 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

• Compound Name: Betazole
• PubChem CID: 7741
• Molecular Formula: C₅H₉N₃
• Molecular Weight: 111.15 g/mol
• Exact Mass: 111.08
• IUPAC Name: 2-(1H-pyrazol-5-yl)ethanamine
• SMILES: NCCc1ccn[nH]1
• InChI: InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)
• InChIKey: JXDFEQONERDKSS-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 54.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	111.15
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Betazole?

The IUPAC name of Betazole (CID 7741) is 2-(1H-pyrazol-5-yl)ethanamine.

What is the SMILES notation for Betazole?

The canonical SMILES for Betazole is NCCc1ccn[nH]1.

What is the InChIKey of Betazole?

The InChIKey is JXDFEQONERDKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8).

What are the key properties of Betazole?

Betazole has a molecular weight of 111.15 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Betazole is sourced from PubChem (CID 7741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7741 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 357 — approved-drug record (CC BY-SA 4.0)

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