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

C11H19N3O — CID 102406422

IUPAC5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one
SMILESCc1cc(=O)n(CCN2CCCCC2)[nH]1
InChIInChI=1S/C11H19N3O/c1-10-9-11(15)14(12-10)8-7-13-5-3-2-4-6-13/h9,12H,2-8H2,1H3
InChIKeyHPGVIYHWBMCLRW-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.97
Rot. Bonds3

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

5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one (PubChem CID 102406422) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one
PubChem CID102406422
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one
SMILESCc1cc(=O)n(CCN2CCCCC2)[nH]1
InChIInChI=1S/C11H19N3O/c1-10-9-11(15)14(12-10)8-7-13-5-3-2-4-6-13/h9,12H,2-8H2,1H3
InChIKeyHPGVIYHWBMCLRW-UHFFFAOYSA-N
XLogP0.97
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one (CID 102406422) is 5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one is Cc1cc(=O)n(CCN2CCCCC2)[nH]1.
What is the InChIKey of 5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one?
The InChIKey is HPGVIYHWBMCLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10-9-11(15)14(12-10)8-7-13-5-3-2-4-6-13/h9,12H,2-8H2,1H3.
What are the key properties of 5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one?
5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 102406422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).