[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone

C₁₆H₁₈FN₃O₂ — CID 134026359

About [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone

[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 134026359) has the molecular formula C₁₆H₁₈FN₃O₂ and a molecular weight of 303.34 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
• PubChem CID: 134026359
• Molecular Formula: C₁₆H₁₈FN₃O₂
• Molecular Weight: 303.34 g/mol
• Exact Mass: 303.14
• IUPAC Name: [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
• SMILES: Cc1c(C(=O)N2CCC(O)CC2)cnn1-c1ccccc1F
• InChI: InChI=1S/C16H18FN3O2/c1-11-13(16(22)19-8-6-12(21)7-9-19)10-18-20(11)15-5-3-2-4-14(15)17/h2-5,10,12,21H,6-9H2,1H3
• InChIKey: HLAKYAJNMRFEOZ-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 58.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.34
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?

The IUPAC name of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 134026359) is [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone.

What is the SMILES notation for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?

The canonical SMILES for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone is Cc1c(C(=O)N2CCC(O)CC2)cnn1-c1ccccc1F.

What is the InChIKey of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?

The InChIKey is HLAKYAJNMRFEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-13(16(22)19-8-6-12(21)7-9-19)10-18-20(11)15-5-3-2-4-14(15)17/h2-5,10,12,21H,6-9H2,1H3.

What are the key properties of [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone?

[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 303.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 134026359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134026359 — identifiers, structure, computed properties (public domain)

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