[2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid

C₆H₈BFN₂O₂ — CID 117058575

About [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid

[2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid (PubChem CID 117058575) has the molecular formula C₆H₈BFN₂O₂ and a molecular weight of 169.95 g/mol. Its IUPAC name is [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid.

Molecular Properties

• Compound Name: [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid
• PubChem CID: 117058575
• Molecular Formula: C₆H₈BFN₂O₂
• Molecular Weight: 169.95 g/mol
• Exact Mass: 170.07
• IUPAC Name: [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid
• SMILES: OB(O)c1ccnn1C1CC1F
• InChI: InChI=1S/C6H8BFN2O2/c8-4-3-5(4)10-6(7(11)12)1-2-9-10/h1-2,4-5,11-12H,3H2
• InChIKey: YXRZYACKCCULKQ-UHFFFAOYSA-N
• XLogP: -1.15
• TPSA: 58.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	169.95
LogP ≤ 5	-1.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid?

The IUPAC name of [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid (CID 117058575) is [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid.

What is the SMILES notation for [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid?

The canonical SMILES for [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid is OB(O)c1ccnn1C1CC1F.

What is the InChIKey of [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid?

The InChIKey is YXRZYACKCCULKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BFN2O2/c8-4-3-5(4)10-6(7(11)12)1-2-9-10/h1-2,4-5,11-12H,3H2.

What are the key properties of [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid?

[2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid has a molecular weight of 169.95 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-fluorocyclopropyl)pyrazol-3-yl]boronic acid is sourced from PubChem (CID 117058575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117058575 — identifiers, structure, computed properties (public domain)

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