2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid

C13H19N3O3 — CID 79584605

IUPAC2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCN1C(=O)CCC(C(=O)O)C1c1cnn(C)c1C
InChIInChI=1S/C13H19N3O3/c1-4-16-11(17)6-5-9(13(18)19)12(16)10-7-14-15(3)8(10)2/h7,9,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyGWHNYRSVKORYQW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.11
Rot. Bonds3

About 2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid

2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 79584605) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID79584605
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCN1C(=O)CCC(C(=O)O)C1c1cnn(C)c1C
InChIInChI=1S/C13H19N3O3/c1-4-16-11(17)6-5-9(13(18)19)12(16)10-7-14-15(3)8(10)2/h7,9,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyGWHNYRSVKORYQW-UHFFFAOYSA-N
XLogP1.11
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid (CID 79584605) is 2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid is CCN1C(=O)CCC(C(=O)O)C1c1cnn(C)c1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is GWHNYRSVKORYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-16-11(17)6-5-9(13(18)19)12(16)10-7-14-15(3)8(10)2/h7,9,12H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 79584605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).