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;methane

C101H98Cl5FN20O3 — CID 157228077

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;methane

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;methane (PubChem CID 157228077) has the molecular formula C101H98Cl5FN20O3 and a molecular weight of 1836.29 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;methane.

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;methane
• PubChem CID: 157228077
• Molecular Formula: C101H98Cl5FN20O3
• Molecular Weight: 1836.29 g/mol
• Exact Mass: 1832.66
• 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;methane
• SMILES: C.C.C.C.C.C.COc1ccc(-c2nnc3c(c(-c4cccc(OC)c4)nn3C)c2Cl)cc1.COc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.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.2C19H15ClN4.C18H12ClFN4.6CH4/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;1-24-18-14(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;2*3-11H,1-2H3;2-10H,1H3;6*1H4
• InChIKey: ATTXXJNICPOYEG-UHFFFAOYSA-N
• XLogP: 26.35
• TPSA: 245.69 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1836.29
LogP ≤ 5	26.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

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;methane?

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;methane (CID 157228077) 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;methane.

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;methane?

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;methane is C.C.C.C.C.C.COc1ccc(-c2nnc3c(c(-c4cccc(OC)c4)nn3C)c2Cl)cc1.COc1cccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)c1.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;methane?

The InChIKey is ATTXXJNICPOYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2.C19H15ClN4O.2C19H15ClN4.C18H12ClFN4.6CH4/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;1-24-18-14(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;2*3-11H,1-2H3;2-10H,1H3;6*1H4.

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;methane?

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;methane has a molecular weight of 1836.29 g/mol, XLogP of 26.35, 13 rotatable bonds, 0 hydrogen bond donors, and 23 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;methane is sourced from PubChem (CID 157228077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).