4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one

C16H15Cl2N5O2 — CID 133323547

IUPAC4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
SMILESCn1cc(C(O)CNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cn1
InChIInChI=1S/C16H15Cl2N5O2/c1-22-9-10(6-20-22)14(24)8-19-13-7-21-23(16(25)15(13)18)12-4-2-11(17)3-5-12/h2-7,9,14,19,24H,8H2,1H3
InChIKeyUVRHZKSCOFESBR-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.42
Rot. Bonds5

About 4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one

4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one (PubChem CID 133323547) has the molecular formula C16H15Cl2N5O2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
PubChem CID133323547
Molecular FormulaC16H15Cl2N5O2
Molecular Weight380.24 g/mol
Exact Mass379.06
IUPAC Name4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
SMILESCn1cc(C(O)CNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cn1
InChIInChI=1S/C16H15Cl2N5O2/c1-22-9-10(6-20-22)14(24)8-19-13-7-21-23(16(25)15(13)18)12-4-2-11(17)3-5-12/h2-7,9,14,19,24H,8H2,1H3
InChIKeyUVRHZKSCOFESBR-UHFFFAOYSA-N
XLogP2.42
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-(4-chlorophenyl)-5-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133306790
4-chloro-2-(2,4-difluorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323503
2-(4-chloro-2-nitroanilino)-1-(1-methylpyrazol-4-yl)ethanol
CID 133323465
5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 60502796
4-chloro-2-(4-chlorophenyl)-5-(2-cyclopropylethylamino)pyridazin-3-one
CID 133324274
2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323516
4-chloro-2-(4-chlorophenyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496558
4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280925
2-tert-butyl-4-chloro-5-[(2-hydroxy-2-phenylethyl)amino]pyridazin-3-one
CID 49225583
4,5-dichloro-2-[3-chloro-4-[[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]phenyl]pyridazin-3-one
CID 52676662
N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide
CID 60521372
4-chloro-2-(4-chlorophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)pyridazin-3-one
CID 133286941

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one (CID 133323547) is 4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one is Cn1cc(C(O)CNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cn1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one?
The InChIKey is UVRHZKSCOFESBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O2/c1-22-9-10(6-20-22)14(24)8-19-13-7-21-23(16(25)15(13)18)12-4-2-11(17)3-5-12/h2-7,9,14,19,24H,8H2,1H3.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one?
4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one has a molecular weight of 380.24 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one is sourced from PubChem (CID 133323547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).