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

C20H25N7O3 — CID 126916364

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

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126916364) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
• PubChem CID: 126916364
• Molecular Formula: C20H25N7O3
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.20
• IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(C(=O)c4coc(C)n4)CC3)n2)n1
• InChI: InChI=1S/C20H25N7O3/c1-14-12-15(2)27(22-14)18-4-5-19(28)26(23-18)11-8-24-6-9-25(10-7-24)20(29)17-13-30-16(3)21-17/h4-5,12-13H,6-11H2,1-3H3
• InChIKey: FWJCRCRLRPFQCR-UHFFFAOYSA-N
• XLogP: 0.80
• TPSA: 102.29 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126916364) is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.

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

The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(C(=O)c4coc(C)n4)CC3)n2)n1.

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

The InChIKey is FWJCRCRLRPFQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-14-12-15(2)27(22-14)18-4-5-19(28)26(23-18)11-8-24-6-9-25(10-7-24)20(29)17-13-30-16(3)21-17/h4-5,12-13H,6-11H2,1-3H3.

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

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 411.47 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126916364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).