4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one

C81H66Cl5N17O3 — CID 158501835

About 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one

4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one (PubChem CID 158501835) has the molecular formula C81H66Cl5N17O3 and a molecular weight of 1502.80 g/mol. Its IUPAC name is 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one.

Molecular Properties

• Compound Name: 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one
• PubChem CID: 158501835
• Molecular Formula: C81H66Cl5N17O3
• Molecular Weight: 1502.80 g/mol
• Exact Mass: 1499.40
• IUPAC Name: 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one
• SMILES: CCC(=O)c1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.COc1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2CCN1CCOCC1.Cn1nc(-c2ccc(Cl)cc2)c2c(Cl)c(-c3ccccc3)nnc21
• InChI: InChI=1S/C23H22ClN5O.C21H17ClN4O.C19H15ClN4O.C18H12Cl2N4/c24-20-19-21(17-7-3-1-4-8-17)27-29(12-11-28-13-15-30-16-14-28)23(19)26-25-22(20)18-9-5-2-6-10-18;1-3-16(27)13-9-11-15(12-10-13)19-17-18(22)20(14-7-5-4-6-8-14)23-24-21(17)26(2)25-19;1-24-19-15(17(23-24)13-8-10-14(25-2)11-9-13)16(20)18(21-22-19)12-6-4-3-5-7-12;1-24-18-14(16(23-24)12-7-9-13(19)10-8-12)15(20)17(21-22-18)11-5-3-2-4-6-11/h1-10H,11-16H2;4-12H,3H2,1-2H3;3-11H,1-2H3;2-10H,1H3
• InChIKey: HJZHQDQOXSHOEO-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 213.17 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1502.80
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one?

The IUPAC name of 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one (CID 158501835) is 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one.

What is the SMILES notation for 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one?

The canonical SMILES for 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one is CCC(=O)c1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.COc1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2CCN1CCOCC1.Cn1nc(-c2ccc(Cl)cc2)c2c(Cl)c(-c3ccccc3)nnc21.

What is the InChIKey of 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one?

The InChIKey is HJZHQDQOXSHOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O.C21H17ClN4O.C19H15ClN4O.C18H12Cl2N4/c24-20-19-21(17-7-3-1-4-8-17)27-29(12-11-28-13-15-30-16-14-28)23(19)26-25-22(20)18-9-5-2-6-10-18;1-3-16(27)13-9-11-15(12-10-13)19-17-18(22)20(14-7-5-4-6-8-14)23-24-21(17)26(2)25-19;1-24-19-15(17(23-24)13-8-10-14(25-2)11-9-13)16(20)18(21-22-19)12-6-4-3-5-7-12;1-24-18-14(16(23-24)12-7-9-13(19)10-8-12)15(20)17(21-22-18)11-5-3-2-4-6-11/h1-10H,11-16H2;4-12H,3H2,1-2H3;3-11H,1-2H3;2-10H,1H3.

What are the key properties of 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one?

4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one has a molecular weight of 1502.80 g/mol, XLogP of 18.45, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one is sourced from PubChem (CID 158501835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).