2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one

C15H16ClN3O — CID 779667

IUPAC2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCCC2)cnn1Cc1ccccc1
InChIInChI=1S/C15H16ClN3O/c16-14-13(18-8-4-5-9-18)10-17-19(15(14)20)11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2
InChIKeyQZJFGEPYLYELTK-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.55
Rot. Bonds3

About 2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one

2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 779667) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID779667
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCCC2)cnn1Cc1ccccc1
InChIInChI=1S/C15H16ClN3O/c16-14-13(18-8-4-5-9-18)10-17-19(15(14)20)11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2
InChIKeyQZJFGEPYLYELTK-UHFFFAOYSA-N
XLogP2.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
CID 734445
4,5-Dichloro-2-(3-methylbenzyl)pyridazin-3(2h)-one
CID 779647
2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one
CID 722438
4,5-dichloro-2-(4-fluorobenzyl)pyridazin-3(2H)-one
CID 675202
4,5-Dichloro-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 2585288
4-Chloro-2-methyl-5-{[(4-methylphenyl)methyl]amino}-2,3-dihydropyridazin-3-one
CID 33287080
2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72871498
4-Chloro-5-[methyl(phenylmethyl)amino]-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479809
Methyl 2-[4-[benzyl(methyl)amino]-5-chloro-6-oxopyridazin-1-yl]acetate
CID 2315224
4,5-Dichloro-2-(2-fluorobenzyl)pyridazine-3(2H)-one
CID 2736823
4,5-Dichloro-2-(4-methylbenzyl)-2,3-dihydropyridazin-3-one
CID 728292
5-(Benzylamino)-4-chloro-2-methyl-2,3-dihydropyridazin-3-one
CID 13169715

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one (CID 779667) is 2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one is O=c1c(Cl)c(N2CCCC2)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is QZJFGEPYLYELTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-14-13(18-8-4-5-9-18)10-17-19(15(14)20)11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2.
What are the key properties of 2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one?
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 289.77 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 779667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).