2-benzyl-4-cyclopentylpyridazin-3-one

C16H18N2O — CID 141479877

IUPAC2-benzyl-4-cyclopentylpyridazin-3-one
SMILESO=c1c(C2CCCC2)ccnn1Cc1ccccc1
InChIInChI=1S/C16H18N2O/c19-16-15(14-8-4-5-9-14)10-11-17-18(16)12-13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2
InChIKeyXSHRZFZCGZXAKU-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.95
Rot. Bonds3

About 2-benzyl-4-cyclopentylpyridazin-3-one

2-benzyl-4-cyclopentylpyridazin-3-one (PubChem CID 141479877) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-benzyl-4-cyclopentylpyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-cyclopentylpyridazin-3-one
PubChem CID141479877
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-benzyl-4-cyclopentylpyridazin-3-one
SMILESO=c1c(C2CCCC2)ccnn1Cc1ccccc1
InChIInChI=1S/C16H18N2O/c19-16-15(14-8-4-5-9-14)10-11-17-18(16)12-13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2
InChIKeyXSHRZFZCGZXAKU-UHFFFAOYSA-N
XLogP2.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-cyclopentyl-5-(1-hydroxyethyl)pyridazin-3-one
CID 118938062
2-benzyl-3-oxopyridazine-4-carboxylic acid
CID 97181365
3-(2-benzylpyrazol-3-yl)piperidine
CID 83392632
2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one
CID 19245497
N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide
CID 47007012
(1R,5S)-3-benzyl-3-azabicyclo[3.3.1]nonan-9-one
CID 10036798
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate
CID 68976287
2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide
CID 59531638
2-benzyl-4-methyl-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]pyridazin-3-one
CID 169128997
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 779667
1-benzyl-5-(1-chloroethyl)pyrazole
CID 121008900

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-cyclopentylpyridazin-3-one?
The IUPAC name of 2-benzyl-4-cyclopentylpyridazin-3-one (CID 141479877) is 2-benzyl-4-cyclopentylpyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-cyclopentylpyridazin-3-one?
The canonical SMILES for 2-benzyl-4-cyclopentylpyridazin-3-one is O=c1c(C2CCCC2)ccnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-cyclopentylpyridazin-3-one?
The InChIKey is XSHRZFZCGZXAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16-15(14-8-4-5-9-14)10-11-17-18(16)12-13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2.
What are the key properties of 2-benzyl-4-cyclopentylpyridazin-3-one?
2-benzyl-4-cyclopentylpyridazin-3-one has a molecular weight of 254.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-cyclopentylpyridazin-3-one is sourced from PubChem (CID 141479877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).