2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one

C18H22N2O2 — CID 118938062

IUPAC2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one
SMILESCC(O)c1cnn(Cc2ccccc2)c(=O)c1C1CCCC1
InChIInChI=1S/C18H22N2O2/c1-13(21)16-11-19-20(12-14-7-3-2-4-8-14)18(22)17(16)15-9-5-6-10-15/h2-4,7-8,11,13,15,21H,5-6,9-10,12H2,1H3
InChIKeyWBOAQLPEMHIWEA-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.00
Rot. Bonds4

About 2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one

2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one (PubChem CID 118938062) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one
PubChem CID118938062
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one
SMILESCC(O)c1cnn(Cc2ccccc2)c(=O)c1C1CCCC1
InChIInChI=1S/C18H22N2O2/c1-13(21)16-11-19-20(12-14-7-3-2-4-8-14)18(22)17(16)15-9-5-6-10-15/h2-4,7-8,11,13,15,21H,5-6,9-10,12H2,1H3
InChIKeyWBOAQLPEMHIWEA-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-4-cyclopentylpyridazin-3-one
CID 141479877
2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one
CID 19245497
2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
CID 133417909
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
1-benzyl-4-propan-2-ylpyrazol-5-amine
CID 126480379
2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
CID 169129055
2-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-3-butan-2-yloxy-3-oxopropanoic acid
CID 68975879
4,5-diamino-2-benzylpyridazin-3-one
CID 820673
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 779667
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
2-benzyl-4-methyl-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]pyridazin-3-one
CID 169128997
2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
CID 53475520

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one (CID 118938062) is 2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one is CC(O)c1cnn(Cc2ccccc2)c(=O)c1C1CCCC1.
What is the InChIKey of 2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one?
The InChIKey is WBOAQLPEMHIWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(21)16-11-19-20(12-14-7-3-2-4-8-14)18(22)17(16)15-9-5-6-10-15/h2-4,7-8,11,13,15,21H,5-6,9-10,12H2,1H3.
What are the key properties of 2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one?
2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one has a molecular weight of 298.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 118938062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).