(4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one

C11H14F3N3O2 — CID 142474443

IUPAC(4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one
SMILESCC1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(O)[C@@H]1C
InChIInChI=1S/C11H14F3N3O2/c1-5-6(2)10(19)17(9(5)18)8-4-7(11(12,13)14)16(3)15-8/h4-6,9,18H,1-3H3/t5-,6?,9?/m1/s1
InChIKeyIXWXWFTUUNZOKK-ZZCQVLGYSA-N
MW277.25 g/mol
LogP1.38
Rot. Bonds1

About (4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one

(4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one (PubChem CID 142474443) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is (4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one
PubChem CID142474443
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name(4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one
SMILESCC1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(O)[C@@H]1C
InChIInChI=1S/C11H14F3N3O2/c1-5-6(2)10(19)17(9(5)18)8-4-7(11(12,13)14)16(3)15-8/h4-6,9,18H,1-3H3/t5-,6?,9?/m1/s1
InChIKeyIXWXWFTUUNZOKK-ZZCQVLGYSA-N
XLogP1.38
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one (CID 142474443) is (4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one is CC1C(=O)N(c2cc(C(F)(F)F)n(C)n2)C(O)[C@@H]1C.
What is the InChIKey of (4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one?
The InChIKey is IXWXWFTUUNZOKK-ZZCQVLGYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-5-6(2)10(19)17(9(5)18)8-4-7(11(12,13)14)16(3)15-8/h4-6,9,18H,1-3H3/t5-,6?,9?/m1/s1.
What are the key properties of (4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one?
(4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one has a molecular weight of 277.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 142474443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).