1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

C14H21N3O3 — CID 107464738

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCc1nn(C)cc1N1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C14H21N3O3/c1-5-10-11(7-16(4)15-10)17-9(3)13(14(19)20)8(2)6-12(17)18/h7-9,13H,5-6H2,1-4H3,(H,19,20)
InChIKeyKDCYNRNFOKBQRP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.44
Rot. Bonds3

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 107464738) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID107464738
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCc1nn(C)cc1N1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C14H21N3O3/c1-5-10-11(7-16(4)15-10)17-9(3)13(14(19)20)8(2)6-12(17)18/h7-9,13H,5-6H2,1-4H3,(H,19,20)
InChIKeyKDCYNRNFOKBQRP-UHFFFAOYSA-N
XLogP1.44
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302568
1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302419
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one
CID 107463326
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-amine
CID 107463343
2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 55057746
2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 62302716
6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 107464990
1-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 107463828
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylpiperidin-4-amine
CID 107463346
[1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 107464849
1-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 115990908
1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 107811853

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (CID 107464738) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is CCc1nn(C)cc1N1C(=O)CC(C)C(C(=O)O)C1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is KDCYNRNFOKBQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-10-11(7-16(4)15-10)17-9(3)13(14(19)20)8(2)6-12(17)18/h7-9,13H,5-6H2,1-4H3,(H,19,20).
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 107464738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).