3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine

C20H21FN10O2S — CID 122339408

About 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine

3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine (PubChem CID 122339408) has the molecular formula C20H21FN10O2S and a molecular weight of 484.52 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

• Compound Name: 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine
• PubChem CID: 122339408
• Molecular Formula: C20H21FN10O2S
• Molecular Weight: 484.52 g/mol
• Exact Mass: 484.16
• IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine
• SMILES: Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(-c5nn[nH]n5)c4)CC3)nn2)n1
• InChI: InChI=1S/C20H21FN10O2S/c1-13-11-14(2)31(26-13)19-6-5-18(22-23-19)29-7-9-30(10-8-29)34(32,33)15-3-4-17(21)16(12-15)20-24-27-28-25-20/h3-6,11-12H,7-10H2,1-2H3,(H,24,25,27,28)
• InChIKey: YTJIUKJJEAHDET-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 138.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.52
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine?

The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine (CID 122339408) is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine.

What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine?

The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine is Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(-c5nn[nH]n5)c4)CC3)nn2)n1.

What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine?

The InChIKey is YTJIUKJJEAHDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN10O2S/c1-13-11-14(2)31(26-13)19-6-5-18(22-23-19)29-7-9-30(10-8-29)34(32,33)15-3-4-17(21)16(12-15)20-24-27-28-25-20/h3-6,11-12H,7-10H2,1-2H3,(H,24,25,27,28).

What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine?

3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 484.52 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 122339408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).