6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

C21H26N6O2S — CID 126916355

About 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126916355) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
• PubChem CID: 126916355
• Molecular Formula: C21H26N6O2S
• Molecular Weight: 426.55 g/mol
• Exact Mass: 426.18
• IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(C(=O)c4ccc(C)s4)CC3)n2)n1
• InChI: InChI=1S/C21H26N6O2S/c1-15-14-16(2)27(22-15)19-6-7-20(28)26(23-19)13-10-24-8-11-25(12-9-24)21(29)18-5-4-17(3)30-18/h4-7,14H,8-13H2,1-3H3
• InChIKey: POLLAOIHXFUHHO-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 76.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.55
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126916355) is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.

What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(C(=O)c4ccc(C)s4)CC3)n2)n1.

What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The InChIKey is POLLAOIHXFUHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-15-14-16(2)27(22-15)19-6-7-20(28)26(23-19)13-10-24-8-11-25(12-9-24)21(29)18-5-4-17(3)30-18/h4-7,14H,8-13H2,1-3H3.

What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 426.55 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126916355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).