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

C114H89Cl6FN24O3 — CID 161130710

About 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-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-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine (PubChem CID 161130710) has the molecular formula C114H89Cl6FN24O3 and a molecular weight of 2074.85 g/mol. Its IUPAC name is 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-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-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine
• PubChem CID: 161130710
• Molecular Formula: C114H89Cl6FN24O3
• Molecular Weight: 2074.85 g/mol
• Exact Mass: 2070.57
• IUPAC Name: 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-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.COc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1ccc(-c2nnc3c(c(-c4ccccc4)nn3C)c2Cl)cc1.Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1cccc(-c2nnc3c(c(-c4ccccc4)nn3C)c2Cl)c1.Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccccc3)nnc21
• InChI: InChI=1S/C20H17ClN4O2.C19H15ClN4O.3C19H15ClN4.C18H12ClFN4/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;1-24-19-15(17(23-24)13-9-6-10-14(11-13)25-2)16(20)18(21-22-19)12-7-4-3-5-8-12;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;1-12-7-6-10-14(11-12)18-16(20)15-17(13-8-4-3-5-9-13)23-24(2)19(15)22-21-18;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)12-7-9-13(20)10-8-12)15(19)17(21-22-18)11-5-3-2-4-6-11/h4-11H,1-3H3;3-11H,1-2H3;3*3-11H,1-2H3;2-10H,1H3
• InChIKey: UMDJZGZHIIUNMG-UHFFFAOYSA-N
• XLogP: 27.19
• TPSA: 289.29 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2074.85
LogP ≤ 5	27.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-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-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine (CID 161130710) is 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-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-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-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-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-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.COc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1ccc(-c2nnc3c(c(-c4ccccc4)nn3C)c2Cl)cc1.Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1cccc(-c2nnc3c(c(-c4ccccc4)nn3C)c2Cl)c1.Cn1nc(-c2ccc(F)cc2)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-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine?

The InChIKey is UMDJZGZHIIUNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2.C19H15ClN4O.3C19H15ClN4.C18H12ClFN4/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;1-24-19-15(17(23-24)13-9-6-10-14(11-13)25-2)16(20)18(21-22-19)12-7-4-3-5-8-12;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;1-12-7-6-10-14(11-12)18-16(20)15-17(13-8-4-3-5-9-13)23-24(2)19(15)22-21-18;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)12-7-9-13(20)10-8-12)15(19)17(21-22-18)11-5-3-2-4-6-11/h4-11H,1-3H3;3-11H,1-2H3;3*3-11H,1-2H3;2-10H,1H3.

What are the key properties of 4-chloro-3-(4-fluorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-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-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine has a molecular weight of 2074.85 g/mol, XLogP of 27.19, 15 rotatable bonds, 0 hydrogen bond donors, and 27 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-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(3-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 161130710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).