1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one

C11H17N3O — CID 107463326

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one
SMILESCCc1nn(C)cc1N1CCC(=O)CC1
InChIInChI=1S/C11H17N3O/c1-3-10-11(8-13(2)12-10)14-6-4-9(15)5-7-14/h8H,3-7H2,1-2H3
InChIKeyKCTKHGINEIVHOR-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.15
Rot. Bonds2

About 1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one

1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one (PubChem CID 107463326) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one
PubChem CID107463326
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one
SMILESCCc1nn(C)cc1N1CCC(=O)CC1
InChIInChI=1S/C11H17N3O/c1-3-10-11(8-13(2)12-10)14-6-4-9(15)5-7-14/h8H,3-7H2,1-2H3
InChIKeyKCTKHGINEIVHOR-UHFFFAOYSA-N
XLogP1.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one 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-(3-ethyl-1-methylpyrazol-4-yl)-1,5-diazocane
CID 107464575
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-amine
CID 107463343
[1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 107464849
3-bromo-1-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 107464837
1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 107464738
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylpiperidin-4-amine
CID 107463346
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)-6-oxopyridine-3-carboxylic acid
CID 107464583
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
CID 107465007
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine
CID 107464911
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-N-propylpiperidin-4-amine
CID 107463331
6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 107464990

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one (CID 107463326) is 1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one is CCc1nn(C)cc1N1CCC(=O)CC1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one?
The InChIKey is KCTKHGINEIVHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-10-11(8-13(2)12-10)14-6-4-9(15)5-7-14/h8H,3-7H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one?
1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)piperidin-4-one is sourced from PubChem (CID 107463326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).