1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine

C102H72Cl5F5N20 — CID 159081110

About 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine

1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine (PubChem CID 159081110) has the molecular formula C102H72Cl5F5N20 and a molecular weight of 1850.09 g/mol. Its IUPAC name is 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine
• PubChem CID: 159081110
• Molecular Formula: C102H72Cl5F5N20
• Molecular Weight: 1850.09 g/mol
• Exact Mass: 1846.46
• IUPAC Name: 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine
• SMILES: CCC#Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2Cc1ccccc1.Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccc(F)cc3)nnc21.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3cccc(C(F)(F)F)c3)nnc21
• InChI: InChI=1S/C24H17ClN4.C22H17ClN4.C19H12ClF3N4.C19H15ClN4.C18H11ClF2N4/c25-21-20-22(18-12-6-2-7-13-18)28-29(16-17-10-4-1-5-11-17)24(20)27-26-23(21)19-14-8-3-9-15-19;1-3-4-9-15-10-8-13-17(14-15)20-18-19(23)21(16-11-6-5-7-12-16)24-25-22(18)27(2)26-20;1-27-18-14(16(26-27)11-6-3-2-4-7-11)15(20)17(24-25-18)12-8-5-9-13(10-12)19(21,22)23;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;1-25-18-14(16(24-25)10-2-6-12(20)7-3-10)15(19)17(22-23-18)11-4-8-13(21)9-5-11/h1-15H,16H2;5-8,10-14H,3H2,1-2H3;2-10H,1H3;3-11H,1-2H3;2-9H,1H3
• InChIKey: KAWCIFDMDDSAQL-UHFFFAOYSA-N
• XLogP: 25.63
• TPSA: 218.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1850.09
LogP ≤ 5	25.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine?

The IUPAC name of 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine (CID 159081110) is 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine?

The canonical SMILES for 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine is CCC#Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2Cc1ccccc1.Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccc(F)cc3)nnc21.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3cccc(C(F)(F)F)c3)nnc21.

What is the InChIKey of 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine?

The InChIKey is KAWCIFDMDDSAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4.C22H17ClN4.C19H12ClF3N4.C19H15ClN4.C18H11ClF2N4/c25-21-20-22(18-12-6-2-7-13-18)28-29(16-17-10-4-1-5-11-17)24(20)27-26-23(21)19-14-8-3-9-15-19;1-3-4-9-15-10-8-13-17(14-15)20-18-19(23)21(16-11-6-5-7-12-16)24-25-22(18)27(2)26-20;1-27-18-14(16(26-27)11-6-3-2-4-7-11)15(20)17(24-25-18)12-8-5-9-13(10-12)19(21,22)23;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;1-25-18-14(16(24-25)10-2-6-12(20)7-3-10)15(19)17(22-23-18)11-4-8-13(21)9-5-11/h1-15H,16H2;5-8,10-14H,3H2,1-2H3;2-10H,1H3;3-11H,1-2H3;2-9H,1H3.

What are the key properties of 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine?

1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine has a molecular weight of 1850.09 g/mol, XLogP of 25.63, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazine;3-(3-but-1-ynylphenyl)-4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-bis(4-fluorophenyl)-1-methylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 159081110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).