4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one

C13H15F3N2O — CID 141453692

IUPAC4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one
SMILESCCC1C(=O)N(c2ccc(C)cc2)NC1C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c1-3-10-11(13(14,15)16)17-18(12(10)19)9-6-4-8(2)5-7-9/h4-7,10-11,17H,3H2,1-2H3
InChIKeyHVUMEDNKRQAALE-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.80
Rot. Bonds2

About 4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one

4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one (PubChem CID 141453692) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one.

Molecular Properties

Compound Name4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one
PubChem CID141453692
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one
SMILESCCC1C(=O)N(c2ccc(C)cc2)NC1C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c1-3-10-11(13(14,15)16)17-18(12(10)19)9-6-4-8(2)5-7-9/h4-7,10-11,17H,3H2,1-2H3
InChIKeyHVUMEDNKRQAALE-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 152800651
(1S,4aS,10bS)-1-ethyl-3-(4-methylphenyl)-4a,10b-dihydro-1H-chromeno[3,4-c]pyridine-2,4,5-trione
CID 11870161
(1R,4aS,10bS)-1-ethyl-3-(4-methylphenyl)-4a,10b-dihydro-1H-chromeno[3,4-c]pyridine-2,4,5-trione
CID 11865340
(1R,7R)-1,10,10-trimethyl-4-(4-methylphenyl)-3,4-diazatricyclo[5.2.1.02,6]decan-5-one
CID 70955730
5-methoxy-2-(4-methylphenyl)pyrazolidine-3,4-dione
CID 86584620
(2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one
CID 11013097
(1S,5S)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100139
(1R,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100138
3,4-diethyl-1-phenylpyrrolidine-2,5-dione
CID 20609571
1-(4-methylphenyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 24978071
9-bromo-1-ethyl-3-(4-methylphenyl)-4a,10b-dihydro-1H-chromeno[3,4-c]pyridine-2,4,5-trione
CID 4682103
(3R,4S)-3-amino-1-(4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503614

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one?
The IUPAC name of 4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one (CID 141453692) is 4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one.
What is the SMILES notation for 4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one?
The canonical SMILES for 4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one is CCC1C(=O)N(c2ccc(C)cc2)NC1C(F)(F)F.
What is the InChIKey of 4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one?
The InChIKey is HVUMEDNKRQAALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-3-10-11(13(14,15)16)17-18(12(10)19)9-6-4-8(2)5-7-9/h4-7,10-11,17H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one?
4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one has a molecular weight of 272.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one is sourced from PubChem (CID 141453692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).