2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one

C20H19FN2O2 — CID 59400764

IUPAC2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
SMILESCCn1nc(Cc2cccc(F)c2)c(O)c(-c2ccccc2C)c1=O
InChIInChI=1S/C20H19FN2O2/c1-3-23-20(25)18(16-10-5-4-7-13(16)2)19(24)17(22-23)12-14-8-6-9-15(21)11-14/h4-11,24H,3,12H2,1-2H3
InChIKeyNWYGAEGMWQLKJE-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.67
Rot. Bonds4

About 2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one

2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one (PubChem CID 59400764) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
PubChem CID59400764
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
SMILESCCn1nc(Cc2cccc(F)c2)c(O)c(-c2ccccc2C)c1=O
InChIInChI=1S/C20H19FN2O2/c1-3-23-20(25)18(16-10-5-4-7-13(16)2)19(24)17(22-23)12-14-8-6-9-15(21)11-14/h4-11,24H,3,12H2,1-2H3
InChIKeyNWYGAEGMWQLKJE-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 59400740
6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400748
carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 161471027
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 159206406
carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 159662933
carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 161155208
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one
CID 58092178
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254
2-ethyl-5-methoxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 58092133
5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100762004

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one (CID 59400764) is 2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one is CCn1nc(Cc2cccc(F)c2)c(O)c(-c2ccccc2C)c1=O.
What is the InChIKey of 2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The InChIKey is NWYGAEGMWQLKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-3-23-20(25)18(16-10-5-4-7-13(16)2)19(24)17(22-23)12-14-8-6-9-15(21)11-14/h4-11,24H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one has a molecular weight of 338.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 59400764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).