1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone

C13H21N3O — CID 105496744

IUPAC1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(C2CCCN(C)C2)c1C
InChIInChI=1S/C13H21N3O/c1-9-13(11(3)17)10(2)16(14-9)12-6-5-7-15(4)8-12/h12H,5-8H2,1-4H3
InChIKeyAGCBTERGYFNNPF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds2

About 1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone

1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone (PubChem CID 105496744) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone
PubChem CID105496744
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(C2CCCN(C)C2)c1C
InChIInChI=1S/C13H21N3O/c1-9-13(11(3)17)10(2)16(14-9)12-6-5-7-15(4)8-12/h12H,5-8H2,1-4H3
InChIKeyAGCBTERGYFNNPF-UHFFFAOYSA-N
XLogP1.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone 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-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 82930287
1-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 105496750
3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid
CID 105462921
5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine
CID 90104184
3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile
CID 105456652
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethane-1,2-dione
CID 86958295
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid
CID 55242499
2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol
CID 105481090
5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid
CID 55032261
5-chloro-1-cycloheptyl-3-methylpyrazole-4-carboxylic acid
CID 61273239
N-cyclooctyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 95860171
N-cyclooctyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 95860170

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone (CID 105496744) is 1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone is CC(=O)c1c(C)nn(C2CCCN(C)C2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone?
The InChIKey is AGCBTERGYFNNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-13(11(3)17)10(2)16(14-9)12-6-5-7-15(4)8-12/h12H,5-8H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone?
1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone has a molecular weight of 235.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 105496744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).