1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone

C21H23FN6O — CID 56699956

About 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 56699956) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

• Compound Name: 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
• PubChem CID: 56699956
• Molecular Formula: C21H23FN6O
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.19
• IUPAC Name: 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
• SMILES: Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nn2)n1
• InChI: InChI=1S/C21H23FN6O/c1-15-13-16(2)28(25-15)20-8-7-19(23-24-20)26-9-11-27(12-10-26)21(29)14-17-3-5-18(22)6-4-17/h3-8,13H,9-12,14H2,1-2H3
• InChIKey: YZWDRXSUWQNNKQ-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone?

The IUPAC name of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone (CID 56699956) is 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone.

What is the SMILES notation for 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone?

The canonical SMILES for 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone is Cc1cc(C)n(-c2ccc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nn2)n1.

What is the InChIKey of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone?

The InChIKey is YZWDRXSUWQNNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-15-13-16(2)28(25-15)20-8-7-19(23-24-20)26-9-11-27(12-10-26)21(29)14-17-3-5-18(22)6-4-17/h3-8,13H,9-12,14H2,1-2H3.

What are the key properties of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone?

1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 394.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 56699956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).