4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one

C8H8F3N3O — CID 175291870

IUPAC4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one
SMILESO=C1CC(n2ccc(C(F)(F)F)n2)CN1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)6-1-2-14(13-6)5-3-7(15)12-4-5/h1-2,5H,3-4H2,(H,12,15)
InChIKeyYLUQTQALDZRYDD-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.96
Rot. Bonds1

About 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one

4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one (PubChem CID 175291870) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one
PubChem CID175291870
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one
SMILESO=C1CC(n2ccc(C(F)(F)F)n2)CN1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)6-1-2-14(13-6)5-3-7(15)12-4-5/h1-2,5H,3-4H2,(H,12,15)
InChIKeyYLUQTQALDZRYDD-UHFFFAOYSA-N
XLogP0.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one?
The IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one (CID 175291870) is 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one is O=C1CC(n2ccc(C(F)(F)F)n2)CN1.
What is the InChIKey of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one?
The InChIKey is YLUQTQALDZRYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)6-1-2-14(13-6)5-3-7(15)12-4-5/h1-2,5H,3-4H2,(H,12,15).
What are the key properties of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one?
4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one has a molecular weight of 219.17 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 175291870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).