1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

C41H37Cl6F2N5O5 — CID 158262004

About 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (PubChem CID 158262004) has the molecular formula C41H37Cl6F2N5O5 and a molecular weight of 930.49 g/mol. Its IUPAC name is 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

Molecular Properties

• Compound Name: 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
• PubChem CID: 158262004
• Molecular Formula: C41H37Cl6F2N5O5
• Molecular Weight: 930.49 g/mol
• Exact Mass: 927.09
• IUPAC Name: 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
• SMILES: C=C(C)COc1cc(-c2c(Cl)n3n(c2=O)CCCC3)c(F)cc1Cl.CC1(COc2cc(-c3c(Cl)n4n(c3=O)CCCC4)c(F)cc2Cl)CC(c2ccc(Cl)cc2Cl)=NO1
• InChI: InChI=1S/C24H20Cl4FN3O3.C17H17Cl2FN2O2/c1-24(11-19(30-35-24)14-5-4-13(25)8-16(14)26)12-34-20-9-15(18(29)10-17(20)27)21-22(28)31-6-2-3-7-32(31)23(21)33;1-10(2)9-24-14-7-11(13(20)8-12(14)18)15-16(19)21-5-3-4-6-22(21)17(15)23/h4-5,8-10H,2-3,6-7,11-12H2,1H3;7-8H,1,3-6,9H2,2H3
• InChIKey: GHZFBBFNNRJSEZ-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 93.91 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.49
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?

The IUPAC name of 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (CID 158262004) is 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

What is the SMILES notation for 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?

The canonical SMILES for 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is C=C(C)COc1cc(-c2c(Cl)n3n(c2=O)CCCC3)c(F)cc1Cl.CC1(COc2cc(-c3c(Cl)n4n(c3=O)CCCC4)c(F)cc2Cl)CC(c2ccc(Cl)cc2Cl)=NO1.

What is the InChIKey of 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?

The InChIKey is GHZFBBFNNRJSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl4FN3O3.C17H17Cl2FN2O2/c1-24(11-19(30-35-24)14-5-4-13(25)8-16(14)26)12-34-20-9-15(18(29)10-17(20)27)21-22(28)31-6-2-3-7-32(31)23(21)33;1-10(2)9-24-14-7-11(13(20)8-12(14)18)15-16(19)21-5-3-4-6-22(21)17(15)23/h4-5,8-10H,2-3,6-7,11-12H2,1H3;7-8H,1,3-6,9H2,2H3.

What are the key properties of 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?

1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one has a molecular weight of 930.49 g/mol, XLogP of 11.34, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-[4-chloro-5-[[3-(2,4-dichlorophenyl)-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-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is sourced from PubChem (CID 158262004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).