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

C10H12F3N3O — CID 62865496

IUPAC2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(N1CCCC(c2ccn[nH]2)C1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(17)16-5-1-2-7(6-16)8-3-4-14-15-8/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyUTVFWLCEQIMKPB-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.68
Rot. Bonds1

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

2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 62865496) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID62865496
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(N1CCCC(c2ccn[nH]2)C1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(17)16-5-1-2-7(6-16)8-3-4-14-15-8/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyUTVFWLCEQIMKPB-UHFFFAOYSA-N
XLogP1.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 62865496) is 2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is O=C(N1CCCC(c2ccn[nH]2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is UTVFWLCEQIMKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)9(17)16-5-1-2-7(6-16)8-3-4-14-15-8/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of 2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 247.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62865496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).