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

C15H13Cl2N5O — CID 133280925

IUPAC4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCn2cccn2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N5O/c16-11-2-4-12(5-3-11)22-15(23)14(17)13(10-20-22)18-7-9-21-8-1-6-19-21/h1-6,8,10,18H,7,9H2
InChIKeyBLWHFSLMVGQUMS-UHFFFAOYSA-N
MW350.21 g/mol
LogP2.85
Rot. Bonds5

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

4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one (PubChem CID 133280925) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
PubChem CID133280925
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC Name4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCn2cccn2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N5O/c16-11-2-4-12(5-3-11)22-15(23)14(17)13(10-20-22)18-7-9-21-8-1-6-19-21/h1-6,8,10,18H,7,9H2
InChIKeyBLWHFSLMVGQUMS-UHFFFAOYSA-N
XLogP2.85
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(2,4-dichlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280949
4-chloro-2-(4-chlorophenyl)-5-(2-cyclopropylethylamino)pyridazin-3-one
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5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 60502796
5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
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4-chloro-2-(4-chlorophenyl)-5-[[(3S)-oxolan-3-yl]methylamino]pyridazin-3-one
CID 94415319
N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide
CID 60521372
4-chloro-2-(4-chlorophenyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496558
4-chloro-5-[2-(2-fluorophenyl)ethylamino]-2-phenylpyridazin-3-one
CID 9172583
4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323547
4-chloro-2-(4-chlorophenyl)-5-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133306790
2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline
CID 54961881
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one (CID 133280925) is 4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one is O=c1c(Cl)c(NCCn2cccn2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one?
The InChIKey is BLWHFSLMVGQUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c16-11-2-4-12(5-3-11)22-15(23)14(17)13(10-20-22)18-7-9-21-8-1-6-19-21/h1-6,8,10,18H,7,9H2.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one?
4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one has a molecular weight of 350.21 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one is sourced from PubChem (CID 133280925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).