1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one

C13H19F3N4O — CID 84596477

IUPAC1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1CNC1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C13H19F3N4O/c1-8-11(9(2)19(3)18-8)5-17-10-4-12(21)20(6-10)7-13(14,15)16/h10,17H,4-7H2,1-3H3
InChIKeyOASVSDDQGDEYTP-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.29
Rot. Bonds4

About 1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one

1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 84596477) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID84596477
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1CNC1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C13H19F3N4O/c1-8-11(9(2)19(3)18-8)5-17-10-4-12(21)20(6-10)7-13(14,15)16/h10,17H,4-7H2,1-3H3
InChIKeyOASVSDDQGDEYTP-UHFFFAOYSA-N
XLogP1.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 84596477) is 1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one is Cc1nn(C)c(C)c1CNC1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is OASVSDDQGDEYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-8-11(9(2)19(3)18-8)5-17-10-4-12(21)20(6-10)7-13(14,15)16/h10,17H,4-7H2,1-3H3.
What are the key properties of 1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 304.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 84596477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).