4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one

C15H12Cl3N5O — CID 133280949

IUPAC4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCn2cccn2)cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3N5O/c16-10-2-3-13(11(17)8-10)23-15(24)14(18)12(9-21-23)19-5-7-22-6-1-4-20-22/h1-4,6,8-9,19H,5,7H2
InChIKeyBZLNEUBBMBUTFS-UHFFFAOYSA-N
MW384.65 g/mol
LogP3.50
Rot. Bonds5

About 4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one

4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one (PubChem CID 133280949) has the molecular formula C15H12Cl3N5O and a molecular weight of 384.65 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
PubChem CID133280949
Molecular FormulaC15H12Cl3N5O
Molecular Weight384.65 g/mol
Exact Mass383.01
IUPAC Name4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCn2cccn2)cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3N5O/c16-10-2-3-13(11(17)8-10)23-15(24)14(18)12(9-21-23)19-5-7-22-6-1-4-20-22/h1-4,6,8-9,19H,5,7H2
InChIKeyBZLNEUBBMBUTFS-UHFFFAOYSA-N
XLogP3.50
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280925
4-chloro-2-(2,4-dichlorophenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one
CID 133366350
4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one
CID 133305928
4-chloro-2-(2,4-dichlorophenyl)-5-[(1-prop-2-enylpiperidin-4-yl)amino]pyridazin-3-one
CID 133320120
2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline
CID 54961881
4-chloro-2-(2,4-dichlorophenyl)-5-(4-oxopiperidin-1-yl)pyridazin-3-one
CID 3714524
5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
CID 17489044
5-(4-but-3-ynylpiperazin-1-yl)-4-chloro-2-(2,4-dichlorophenyl)pyridazin-3-one
CID 133453778
3-chloro-4-methyl-N-(2-pyrazol-1-ylethyl)aniline
CID 61491572
2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline
CID 63036481
4-chloro-2-(4-chlorophenyl)-5-(2-cyclopropylethylamino)pyridazin-3-one
CID 133324274
3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide
CID 2774919

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one (CID 133280949) is 4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one is O=c1c(Cl)c(NCCn2cccn2)cnn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one?
The InChIKey is BZLNEUBBMBUTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N5O/c16-10-2-3-13(11(17)8-10)23-15(24)14(18)12(9-21-23)19-5-7-22-6-1-4-20-22/h1-4,6,8-9,19H,5,7H2.
What are the key properties of 4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one?
4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one has a molecular weight of 384.65 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one is sourced from PubChem (CID 133280949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).