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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane

C113H107Cl5F3N21O — CID 157465317

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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane

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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane (PubChem CID 157465317) has the molecular formula C113H107Cl5F3N21O and a molecular weight of 2009.50 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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane.

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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane
• PubChem CID: 157465317
• Molecular Formula: C113H107Cl5F3N21O
• Molecular Weight: 2009.50 g/mol
• Exact Mass: 2005.74
• 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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane
• SMILES: C.C.C.C.C.C.CCC#Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2CCN1CCOCC1.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2Cc1ccccc1.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3cccc(C(F)(F)F)c3)nnc21
• InChI: InChI=1S/C24H17ClN4.C23H22ClN5O.C22H17ClN4.C19H12ClF3N4.C19H15ClN4.6CH4/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;24-20-19-21(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;1-3-4-9-15-10-8-13-17(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;;;;;;/h1-15H,16H2;1-10H,11-16H2;5-8,10-14H,3H2,1-2H3;2-10H,1H3;3-11H,1-2H3;6*1H4
• InChIKey: BUKCUYGAADBEFA-UHFFFAOYSA-N
• XLogP: 28.97
• TPSA: 230.47 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.50
LogP ≤ 5	28.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane?

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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane (CID 157465317) 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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane.

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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane?

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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane is C.C.C.C.C.C.CCC#Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Cc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2CCN1CCOCC1.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2Cc1ccccc1.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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane?

The InChIKey is BUKCUYGAADBEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4.C23H22ClN5O.C22H17ClN4.C19H12ClF3N4.C19H15ClN4.6CH4/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;24-20-19-21(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;1-3-4-9-15-10-8-13-17(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;;;;;;/h1-15H,16H2;1-10H,11-16H2;5-8,10-14H,3H2,1-2H3;2-10H,1H3;3-11H,1-2H3;6*1H4.

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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane?

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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane has a molecular weight of 2009.50 g/mol, XLogP of 28.97, 15 rotatable bonds, 0 hydrogen bond donors, and 22 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-[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;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;methane is sourced from PubChem (CID 157465317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).