3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one

C18H17ClN2O — CID 3813527

IUPAC3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCc1ccc(C2CC(c3ccc(Cl)cc3)=NNC2=O)cc1
InChIInChI=1S/C18H17ClN2O/c1-2-12-3-5-13(6-4-12)16-11-17(20-21-18(16)22)14-7-9-15(19)10-8-14/h3-10,16H,2,11H2,1H3,(H,21,22)
InChIKeyXVNLLELMAZZFCJ-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.91
Rot. Bonds3

About 3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one

3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 3813527) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID3813527
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCc1ccc(C2CC(c3ccc(Cl)cc3)=NNC2=O)cc1
InChIInChI=1S/C18H17ClN2O/c1-2-12-3-5-13(6-4-12)16-11-17(20-21-18(16)22)14-7-9-15(19)10-8-14/h3-10,16H,2,11H2,1H3,(H,21,22)
InChIKeyXVNLLELMAZZFCJ-UHFFFAOYSA-N
XLogP3.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorobenzyl)phthalazin-1(2H)-one
CID 104452
6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
CID 120990
(4-Chloro-phenyl)-acetic acid [1-(4-fluoro-phenyl)-ethylidene]-hydrazide
CID 5439289
N'-[(1E)-1-(4-chlorophenyl)ethylidene]cyclopentanecarbohydrazide
CID 25237608
4-(4-chlorophenyl)-6-(3-methylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3543116
4-(2,4-dichlorophenyl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 3692388
4,6-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-3(2H)-pyridazinone
CID 3702992
4-(3-chlorophenyl)-6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3742146
6-(4-chlorophenyl)-4-(4-methylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 5182021
N'-[1-(4-chlorophenyl)ethylidene]hexanohydrazide
CID 5720765
trans-(1R,2R)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7329455
trans-(1R,2R)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 9565072

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 3813527) is 3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one is CCc1ccc(C2CC(c3ccc(Cl)cc3)=NNC2=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XVNLLELMAZZFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-2-12-3-5-13(6-4-12)16-11-17(20-21-18(16)22)14-7-9-15(19)10-8-14/h3-10,16H,2,11H2,1H3,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 312.80 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 3813527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).