2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

C12H17F3N4O — CID 120705849

IUPAC2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-16-8-11(20)18-5-2-9(3-6-18)19-7-4-10(17-19)12(13,14)15/h4,7,9,16H,2-3,5-6,8H2,1H3
InChIKeyRHFGLXYVJLQLJC-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.28
Rot. Bonds3

About 2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 120705849) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID120705849
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-16-8-11(20)18-5-2-9(3-6-18)19-7-4-10(17-19)12(13,14)15/h4,7,9,16H,2-3,5-6,8H2,1H3
InChIKeyRHFGLXYVJLQLJC-UHFFFAOYSA-N
XLogP1.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 86783988
3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 136521345
2-(1-phenylpyrazol-4-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166203581
[5-(hydroxymethyl)-3-methylfuran-2-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 126797647
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166285321
[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 139021938
(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 126815509
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 43393908
N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 167876738
1,3-benzothiazol-2-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166203897
(7-fluoro-2-methylquinolin-4-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166203565
imidazo[1,2-a]pyrimidin-3-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166277837

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 120705849) is 2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is CNCC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is RHFGLXYVJLQLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-16-8-11(20)18-5-2-9(3-6-18)19-7-4-10(17-19)12(13,14)15/h4,7,9,16H,2-3,5-6,8H2,1H3.
What are the key properties of 2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 290.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 120705849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).