1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

C11H14F3N3O — CID 126758363

IUPAC1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2nccc2C(F)(F)F)CC1
InChIInChI=1S/C11H14F3N3O/c1-8(18)16-6-3-9(4-7-16)17-10(2-5-15-17)11(12,13)14/h2,5,9H,3-4,6-7H2,1H3
InChIKeyJOWHACGPKRPGMX-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.09
Rot. Bonds1

About 1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 126758363) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID126758363
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2nccc2C(F)(F)F)CC1
InChIInChI=1S/C11H14F3N3O/c1-8(18)16-6-3-9(4-7-16)17-10(2-5-15-17)11(12,13)14/h2,5,9H,3-4,6-7H2,1H3
InChIKeyJOWHACGPKRPGMX-UHFFFAOYSA-N
XLogP2.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-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

US10030012, Example 69
CID 78318314
N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448503
N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448682
N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448755
N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 118740652
1-[3-(Trifluoromethyl)pyrazol-1-yl]ethanone
CID 138984067
1-cyclopentyl-5-(trifluoromethyl)-1H-pyrazole
CID 155943580
1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 94095763
1-[3-(Difluoromethyl)pyrazol-1-yl]ethanone
CID 154716540
1-[4-(3-Methylpyrazol-1-yl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 177681095
1-(3-Methyl-1H-pyrazol-1-yl)ethan-1-one
CID 15322610
1-Pyrrolidin-1-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 39891875

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 126758363) is 1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2nccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is JOWHACGPKRPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-8(18)16-6-3-9(4-7-16)17-10(2-5-15-17)11(12,13)14/h2,5,9H,3-4,6-7H2,1H3.
What are the key properties of 1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 261.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 126758363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).