1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

C24H20Cl3F2N3O3 — CID 90434418

About 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (PubChem CID 90434418) has the molecular formula C24H20Cl3F2N3O3 and a molecular weight of 542.80 g/mol. Its IUPAC name is 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

Molecular Properties

• Compound Name: 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
• PubChem CID: 90434418
• Molecular Formula: C24H20Cl3F2N3O3
• Molecular Weight: 542.80 g/mol
• Exact Mass: 541.05
• IUPAC Name: 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
• SMILES: CC1(COc2cc(-c3c(Cl)n4n(c3=O)CCCC4)c(F)cc2Cl)CC(c2ccc(F)cc2Cl)=NO1
• InChI: InChI=1S/C24H20Cl3F2N3O3/c1-24(11-19(30-35-24)14-5-4-13(28)8-16(14)25)12-34-20-9-15(18(29)10-17(20)26)21-22(27)31-6-2-3-7-32(31)23(21)33/h4-5,8-10H,2-3,6-7,11-12H2,1H3
• InChIKey: XJTNRVFYTOMENN-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 57.75 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.80
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?

The IUPAC name of 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (CID 90434418) is 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

What is the SMILES notation for 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?

The canonical SMILES for 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is CC1(COc2cc(-c3c(Cl)n4n(c3=O)CCCC4)c(F)cc2Cl)CC(c2ccc(F)cc2Cl)=NO1.

What is the InChIKey of 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?

The InChIKey is XJTNRVFYTOMENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3F2N3O3/c1-24(11-19(30-35-24)14-5-4-13(28)8-16(14)25)12-34-20-9-15(18(29)10-17(20)26)21-22(27)31-6-2-3-7-32(31)23(21)33/h4-5,8-10H,2-3,6-7,11-12H2,1H3.

What are the key properties of 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?

1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one has a molecular weight of 542.80 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-[4-chloro-5-[[3-(2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methoxy]-2-fluorophenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is sourced from PubChem (CID 90434418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).