2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone

C11H14F3N3O2 — CID 122633513

IUPAC2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1C1CCN(C(=O)CO)C1
InChIInChI=1S/C11H14F3N3O2/c1-7-4-9(11(12,13)14)15-17(7)8-2-3-16(5-8)10(19)6-18/h4,8,18H,2-3,5-6H2,1H3
InChIKeyYDKAAKHOYLAPOR-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.98
Rot. Bonds2

About 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone

2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone (PubChem CID 122633513) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
PubChem CID122633513
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1C1CCN(C(=O)CO)C1
InChIInChI=1S/C11H14F3N3O2/c1-7-4-9(11(12,13)14)15-17(7)8-2-3-16(5-8)10(19)6-18/h4,8,18H,2-3,5-6H2,1H3
InChIKeyYDKAAKHOYLAPOR-UHFFFAOYSA-N
XLogP0.98
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-1-morpholin-4-yl-ethanone
CID 673378
5-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 813457
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 53624049
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethanol
CID 19619759
2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 89833798
3,5-dimethyl-1-{1-[(2,2,3,3-tetrafluoropropoxy)acetyl]pyrrolidin-3-yl}-1H-pyrazole
CID 91791616
4-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}morpholine
CID 4769361
1-(4-Hydroxypiperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 117679938
1-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 122633445
2-Hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
CID 122633451
2-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]acetamide
CID 122633454
2-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
CID 122633509

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone (CID 122633513) is 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone is Cc1cc(C(F)(F)F)nn1C1CCN(C(=O)CO)C1.
What is the InChIKey of 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is YDKAAKHOYLAPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-7-4-9(11(12,13)14)15-17(7)8-2-3-16(5-8)10(19)6-18/h4,8,18H,2-3,5-6H2,1H3.
What are the key properties of 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 277.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 122633513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).