5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one

C11H19N3O — CID 84722940

IUPAC5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one
SMILESCc1cc(=O)n(CCC2CCCCN2)[nH]1
InChIInChI=1S/C11H19N3O/c1-9-8-11(15)14(13-9)7-5-10-4-2-3-6-12-10/h8,10,12-13H,2-7H2,1H3
InChIKeyYEEYUJBMPHLXDD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds3

About 5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one

5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one (PubChem CID 84722940) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one
PubChem CID84722940
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one
SMILESCc1cc(=O)n(CCC2CCCCN2)[nH]1
InChIInChI=1S/C11H19N3O/c1-9-8-11(15)14(13-9)7-5-10-4-2-3-6-12-10/h8,10,12-13H,2-7H2,1H3
InChIKeyYEEYUJBMPHLXDD-UHFFFAOYSA-N
XLogP1.02
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
CID 83847605
5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one
CID 114395884
5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
CID 84727120
5-fluoro-1-(2-piperidin-2-ylethyl)pyridin-2-one
CID 82147333
2-(2-piperidin-2-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395871
2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine
CID 84657646
2-[2-(5-methyltriazol-1-yl)ethyl]piperidine
CID 82222439
4-methyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
CID 63104430
2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one
CID 83847592
1-(2-piperidin-2-ylethyl)-4-propylimidazolidin-2-one
CID 116980617
3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione
CID 66075534
4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
CID 113421171

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one (CID 84722940) is 5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one is Cc1cc(=O)n(CCC2CCCCN2)[nH]1.
What is the InChIKey of 5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one?
The InChIKey is YEEYUJBMPHLXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-8-11(15)14(13-9)7-5-10-4-2-3-6-12-10/h8,10,12-13H,2-7H2,1H3.
What are the key properties of 5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one?
5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 84722940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).