4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one

C59H47Cl3N12O2 — CID 161148875

IUPAC4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.COc1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.Cc1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1
InChIInChI=1S/C21H17ClN4O.C19H15ClN4O.C19H15ClN4/c1-3-16(27)13-9-11-15(12-10-13)19-17-18(22)20(14-7-5-4-6-8-14)23-24-21(17)26(2)25-19;1-24-19-15(17(23-24)13-8-10-14(25-2)11-9-13)16(20)18(21-22-19)12-6-4-3-5-7-12;1-12-8-10-14(11-9-12)17-15-16(20)18(13-6-4-3-5-7-13)21-22-19(15)24(2)23-17/h4-12H,3H2,1-2H3;3-11H,1-2H3;3-11H,1-2H3
InChIKeyUOKHZJBCJCKXTJ-UHFFFAOYSA-N
MW1062.47 g/mol
LogP13.96
Rot. Bonds9

About 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one

4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one (PubChem CID 161148875) has the molecular formula C59H47Cl3N12O2 and a molecular weight of 1062.47 g/mol. Its IUPAC name is 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one
PubChem CID161148875
Molecular FormulaC59H47Cl3N12O2
Molecular Weight1062.47 g/mol
Exact Mass1060.30
IUPAC Name4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.COc1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.Cc1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1
InChIInChI=1S/C21H17ClN4O.C19H15ClN4O.C19H15ClN4/c1-3-16(27)13-9-11-15(12-10-13)19-17-18(22)20(14-7-5-4-6-8-14)23-24-21(17)26(2)25-19;1-24-19-15(17(23-24)13-8-10-14(25-2)11-9-13)16(20)18(21-22-19)12-6-4-3-5-7-12;1-12-8-10-14(11-9-12)17-15-16(20)18(13-6-4-3-5-7-13)21-22-19(15)24(2)23-17/h4-12H,3H2,1-2H3;3-11H,1-2H3;3-11H,1-2H3
InChIKeyUOKHZJBCJCKXTJ-UHFFFAOYSA-N
XLogP13.96
TPSA157.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001062.47
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one with MolForge

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Related Compounds

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-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-(3-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine
CID 158305310
4-Chloro-3-(4-chlorophenyl)-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-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one
CID 158501835
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
4-Chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;bis(4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine);4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)benzonitrile;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one
CID 159498649
4-Chloro-3-(4-chlorophenyl)-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-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)benzonitrile;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one
CID 160270219
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-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 160356551
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-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 161121567
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
4-Chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)benzonitrile;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one
CID 161230431
4-Chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)benzonitrile;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one;methane
CID 161827185
4-Chloro-3-(4-chlorophenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)benzonitrile;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one;methane
CID 161873111
4-[2-(4-Chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethyl]morpholine;4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;bis(4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine);1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one
CID 161969390

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one?
The IUPAC name of 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one (CID 161148875) is 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one.
What is the SMILES notation for 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one?
The canonical SMILES for 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one is CCC(=O)c1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.COc1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.Cc1ccc(-c2nn(C)c3nnc(-c4ccccc4)c(Cl)c23)cc1.
What is the InChIKey of 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one?
The InChIKey is UOKHZJBCJCKXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O.C19H15ClN4O.C19H15ClN4/c1-3-16(27)13-9-11-15(12-10-13)19-17-18(22)20(14-7-5-4-6-8-14)23-24-21(17)26(2)25-19;1-24-19-15(17(23-24)13-8-10-14(25-2)11-9-13)16(20)18(21-22-19)12-6-4-3-5-7-12;1-12-8-10-14(11-9-12)17-15-16(20)18(13-6-4-3-5-7-13)21-22-19(15)24(2)23-17/h4-12H,3H2,1-2H3;3-11H,1-2H3;3-11H,1-2H3.
What are the key properties of 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one?
4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one has a molecular weight of 1062.47 g/mol, XLogP of 13.96, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-methoxyphenyl)-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3-(4-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)phenyl]propan-1-one is sourced from PubChem (CID 161148875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).