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

C16H15F3N4O — CID 167776819

IUPAC3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1C(n2cc(C3CC3)nn2)CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)11-3-5-12(6-4-11)22-8-7-14(15(22)24)23-9-13(20-21-23)10-1-2-10/h3-6,9-10,14H,1-2,7-8H2
InChIKeyPQBQYQICSNCFFK-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.15
Rot. Bonds3

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

3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 167776819) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID167776819
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1C(n2cc(C3CC3)nn2)CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)11-3-5-12(6-4-11)22-8-7-14(15(22)24)23-9-13(20-21-23)10-1-2-10/h3-6,9-10,14H,1-2,7-8H2
InChIKeyPQBQYQICSNCFFK-UHFFFAOYSA-N
XLogP3.15
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyclopropyltriazol-1-yl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 154746464
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
3-[4-(hydroxymethyl)piperidin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 111122665
3-(4-cyclopropyltriazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121190700
4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide
CID 86969741
1-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904485
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 121190130
3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 125489925
5-hydroxy-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 54289121
4-cyclopropyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]triazole
CID 121190330
N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide
CID 166411468
1-[4-(trifluoromethyl)phenyl]azepan-2-one
CID 154102957

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 167776819) is 3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1C(n2cc(C3CC3)nn2)CCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is PQBQYQICSNCFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)11-3-5-12(6-4-11)22-8-7-14(15(22)24)23-9-13(20-21-23)10-1-2-10/h3-6,9-10,14H,1-2,7-8H2.
What are the key properties of 3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 336.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 167776819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).