2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

C14H20F3N3O2 — CID 134331587

IUPAC2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCN(C(=O)CO)CC1
InChIInChI=1S/C14H20F3N3O2/c1-9(2)11-7-12(14(15,16)17)18-20(11)10-3-5-19(6-4-10)13(22)8-21/h7,9-10,21H,3-6,8H2,1-2H3
InChIKeyTZVCFWKOMGTLKM-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.18
Rot. Bonds3

About 2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 134331587) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID134331587
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCN(C(=O)CO)CC1
InChIInChI=1S/C14H20F3N3O2/c1-9(2)11-7-12(14(15,16)17)18-20(11)10-3-5-19(6-4-10)13(22)8-21/h7,9-10,21H,3-6,8H2,1-2H3
InChIKeyTZVCFWKOMGTLKM-UHFFFAOYSA-N
XLogP2.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 53624049
1-{4-[3,5-Bis(propan-2-YL)-1H-pyrazol-1-YL]piperidin-1-YL}-1-oxopropan-2-YL acetate
CID 83279404
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 3437189
1-[4-(1,3-Diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 23557459
2-[4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
CID 118149713
3,3,3-Trifluoro-2-hydroxy-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
CID 118166818
(2R)-1-[4-(2-cyclohexylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 118166824
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118166960
3,3,3-Trifluoro-2-hydroxy-2-methyl-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118166965
1-[4-(2-Tert-butylpyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 118166967
(2R)-3,3,3-trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 118166981
3,3,3-Trifluoro-2-hydroxy-1-[4-[2-(2-methoxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 118166983

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 134331587) is 2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is CC(C)c1cc(C(F)(F)F)nn1C1CCN(C(=O)CO)CC1.
What is the InChIKey of 2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is TZVCFWKOMGTLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-9(2)11-7-12(14(15,16)17)18-20(11)10-3-5-19(6-4-10)13(22)8-21/h7,9-10,21H,3-6,8H2,1-2H3.
What are the key properties of 2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 319.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134331587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).