1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one

C19H13Cl3N4O — CID 16846366

IUPAC1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1nn(Cc2ccc(Cl)cc2Cl)c(=O)c2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C19H13Cl3N4O/c1-11-16-9-23-26(15-4-2-3-13(20)7-15)18(16)19(27)25(24-11)10-12-5-6-14(21)8-17(12)22/h2-9H,10H2,1H3
InChIKeyBKRRAMNNYMQZQF-UHFFFAOYSA-N
MW419.70 g/mol
LogP4.90
Rot. Bonds3

About 1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one

1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16846366) has the molecular formula C19H13Cl3N4O and a molecular weight of 419.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID16846366
Molecular FormulaC19H13Cl3N4O
Molecular Weight419.70 g/mol
Exact Mass418.02
IUPAC Name1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCc1nn(Cc2ccc(Cl)cc2Cl)c(=O)c2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C19H13Cl3N4O/c1-11-16-9-23-26(15-4-2-3-13(20)7-15)18(16)19(27)25(24-11)10-12-5-6-14(21)8-17(12)22/h2-9H,10H2,1H3
InChIKeyBKRRAMNNYMQZQF-UHFFFAOYSA-N
XLogP4.90
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.70
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-1-(3-chlorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846308
1-(3-chlorophenyl)-6-[(2,5-dimethylphenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846315
1-(3-chlorophenyl)-4-methyl-6-[(4-nitrophenyl)methyl]pyrazolo[4,5-d]pyridazin-7-one
CID 16846313
1-(3-chlorophenyl)-4-methyl-6-(3-methylbutyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846233
1-(3-chlorophenyl)-6-(2-ethoxyethyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846239
6-benzyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846168
1-(3-chlorophenyl)-4-methyl-6-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16846230
6-butan-2-yl-1-(3-chlorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846232
4-methyl-6-[(3-methylphenyl)methyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846174
6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846087
N-(3-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846903
4-methyl-1-phenyl-6-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyridazin-7-one
CID 16846184

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one (CID 16846366) is 1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one is Cc1nn(Cc2ccc(Cl)cc2Cl)c(=O)c2c1cnn2-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is BKRRAMNNYMQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N4O/c1-11-16-9-23-26(15-4-2-3-13(20)7-15)18(16)19(27)25(24-11)10-12-5-6-14(21)8-17(12)22/h2-9H,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one?
1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 419.70 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6-[(2,4-dichlorophenyl)methyl]-4-methylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16846366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).