1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C11H14F3N3O — CID 73439316

IUPAC1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H14F3N3O/c1-7(18)17-5-3-2-4-9(17)8-6-10(16-15-8)11(12,13)14/h6,9H,2-5H2,1H3,(H,15,16)
InChIKeyLGHQOBJDNPPOCA-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.50
Rot. Bonds1

About 1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 73439316) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID73439316
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H14F3N3O/c1-7(18)17-5-3-2-4-9(17)8-6-10(16-15-8)11(12,13)14/h6,9H,2-5H2,1H3,(H,15,16)
InChIKeyLGHQOBJDNPPOCA-UHFFFAOYSA-N
XLogP2.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 73439316) is 1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is LGHQOBJDNPPOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7(18)17-5-3-2-4-9(17)8-6-10(16-15-8)11(12,13)14/h6,9H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 261.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 73439316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).