4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine

C112H84Cl6F2N24O2 — CID 158755731

About 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine

4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine (PubChem CID 158755731) has the molecular formula C112H84Cl6F2N24O2 and a molecular weight of 2048.78 g/mol. Its IUPAC name is 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine
• PubChem CID: 158755731
• Molecular Formula: C112H84Cl6F2N24O2
• Molecular Weight: 2048.78 g/mol
• Exact Mass: 2044.53
• IUPAC Name: 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine
• SMILES: COc1ccc(-c2nnc3c(c(-c4cccc(OC)c4)nn3C)c2Cl)cc1.Cc1ccc(-c2nnc3c(c(-c4ccccc4)nn3C)c2Cl)cc1.Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3cccc(F)c3)nnc21.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
• InChI: InChI=1S/C20H17ClN4O2.2C19H15ClN4.2C18H12ClFN4.C18H13ClN4/c1-25-20-16(18(24-25)13-5-4-6-15(11-13)27-3)17(21)19(22-23-20)12-7-9-14(26-2)10-8-12;1-12-7-6-10-14(11-12)17-15-16(20)18(13-8-4-3-5-9-13)21-22-19(15)24(2)23-17;1-12-8-10-14(11-9-12)18-16(20)15-17(13-6-4-3-5-7-13)23-24(2)19(15)22-21-18;1-24-18-14(16(23-24)11-6-3-2-4-7-11)15(19)17(21-22-18)12-8-5-9-13(20)10-12;1-24-18-14(16(23-24)12-7-9-13(20)10-8-12)15(19)17(21-22-18)11-5-3-2-4-6-11;1-23-18-14(16(22-23)12-8-4-2-5-9-12)15(19)17(20-21-18)13-10-6-3-7-11-13/h4-11H,1-3H3;2*3-11H,1-2H3;2*2-10H,1H3;2-11H,1H3
• InChIKey: IOAZMSGBWZFGIG-UHFFFAOYSA-N
• XLogP: 27.02
• TPSA: 280.06 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2048.78
LogP ≤ 5	27.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine?

The IUPAC name of 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine (CID 158755731) is 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine?

The canonical SMILES for 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine is COc1ccc(-c2nnc3c(c(-c4cccc(OC)c4)nn3C)c2Cl)cc1.Cc1ccc(-c2nnc3c(c(-c4ccccc4)nn3C)c2Cl)cc1.Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3cccc(F)c3)nnc21.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.

What is the InChIKey of 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine?

The InChIKey is IOAZMSGBWZFGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2.2C19H15ClN4.2C18H12ClFN4.C18H13ClN4/c1-25-20-16(18(24-25)13-5-4-6-15(11-13)27-3)17(21)19(22-23-20)12-7-9-14(26-2)10-8-12;1-12-7-6-10-14(11-12)17-15-16(20)18(13-8-4-3-5-9-13)21-22-19(15)24(2)23-17;1-12-8-10-14(11-9-12)18-16(20)15-17(13-6-4-3-5-7-13)23-24(2)19(15)22-21-18;1-24-18-14(16(23-24)11-6-3-2-4-7-11)15(19)17(21-22-18)12-8-5-9-13(20)10-12;1-24-18-14(16(23-24)12-7-9-13(20)10-8-12)15(19)17(21-22-18)11-5-3-2-4-6-11;1-23-18-14(16(22-23)12-8-4-2-5-9-12)15(19)17(20-21-18)13-10-6-3-7-11-13/h4-11H,1-3H3;2*3-11H,1-2H3;2*2-10H,1H3;2-11H,1H3.

What are the key properties of 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine?

4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine has a molecular weight of 2048.78 g/mol, XLogP of 27.02, 14 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1-methyl-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 158755731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).