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

C12H17F3N4O — CID 78958299

IUPAC1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-16-6-11(20)19-5-1-2-9(7-19)10-3-4-17-18-10/h3-4,9,16H,1-2,5-8H2,(H,17,18)
InChIKeyFEGDBRYIWRQOBD-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.27
Rot. Bonds4

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

1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78958299) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78958299
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-16-6-11(20)19-5-1-2-9(7-19)10-3-4-17-18-10/h3-4,9,16H,1-2,5-8H2,(H,17,18)
InChIKeyFEGDBRYIWRQOBD-UHFFFAOYSA-N
XLogP1.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 78958299) is 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is FEGDBRYIWRQOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)8-16-6-11(20)19-5-1-2-9(7-19)10-3-4-17-18-10/h3-4,9,16H,1-2,5-8H2,(H,17,18).
What are the key properties of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 290.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78958299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).