1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one

C13H19N3O2 — CID 114218977

IUPAC1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one
SMILESCCC1CN(C(=O)c2cc(C)n(C)n2)CCC1=O
InChIInChI=1S/C13H19N3O2/c1-4-10-8-16(6-5-12(10)17)13(18)11-7-9(2)15(3)14-11/h7,10H,4-6,8H2,1-3H3
InChIKeyLXBPIQWWCVJLRR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.17
Rot. Bonds2

About 1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one

1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one (PubChem CID 114218977) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one
PubChem CID114218977
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one
SMILESCCC1CN(C(=O)c2cc(C)n(C)n2)CCC1=O
InChIInChI=1S/C13H19N3O2/c1-4-10-8-16(6-5-12(10)17)13(18)11-7-9(2)15(3)14-11/h7,10H,4-6,8H2,1-3H3
InChIKeyLXBPIQWWCVJLRR-UHFFFAOYSA-N
XLogP1.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one?
The IUPAC name of 1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one (CID 114218977) is 1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one.
What is the SMILES notation for 1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one?
The canonical SMILES for 1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one is CCC1CN(C(=O)c2cc(C)n(C)n2)CCC1=O.
What is the InChIKey of 1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one?
The InChIKey is LXBPIQWWCVJLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-10-8-16(6-5-12(10)17)13(18)11-7-9(2)15(3)14-11/h7,10H,4-6,8H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one?
1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one has a molecular weight of 249.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one is sourced from PubChem (CID 114218977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).