1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C13H18F3N3O — CID 78784652

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC1CC(C)CN(C(=O)Cn2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3O/c1-9-5-10(2)7-18(6-9)12(20)8-19-4-3-11(17-19)13(14,15)16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRLKKTHLSSTWXFO-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.41
Rot. Bonds2

About 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 78784652) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID78784652
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCC1CC(C)CN(C(=O)Cn2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3O/c1-9-5-10(2)7-18(6-9)12(20)8-19-4-3-11(17-19)13(14,15)16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRLKKTHLSSTWXFO-UHFFFAOYSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-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

Ethyl 4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 3608528
2-[5-Methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
CID 2256952
N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 2809211
N-[(Z)-(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6219663
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
N,N-dimethyl-2-{(1S*,5R*)-6-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]non-3-yl}acetamide
CID 133128059
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47005565
1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 94095763
3,3,3-trifluoro-1-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
CID 129356837
1-Pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 39891875
N,N-dimethyl-2-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]acetamide
CID 39948535
n-(Tert-pentyl)-2-(3-(trifluoromethyl)-1h-pyrazol-1-yl)acetamide
CID 45794451

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 78784652) is 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is CC1CC(C)CN(C(=O)Cn2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is RLKKTHLSSTWXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-9-5-10(2)7-18(6-9)12(20)8-19-4-3-11(17-19)13(14,15)16/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 289.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 78784652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).