4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one

C13H15F3N2O2 — CID 14840390

IUPAC4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one
SMILESCOCCC1CN(c2cccc(C(F)(F)F)c2)NC1=O
InChIInChI=1S/C13H15F3N2O2/c1-20-6-5-9-8-18(17-12(9)19)11-4-2-3-10(7-11)13(14,15)16/h2-4,7,9H,5-6,8H2,1H3,(H,17,19)
InChIKeyOUIRDHBSZGTKMA-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.21
Rot. Bonds4

About 4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one

4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one (PubChem CID 14840390) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one
PubChem CID14840390
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one
SMILESCOCCC1CN(c2cccc(C(F)(F)F)c2)NC1=O
InChIInChI=1S/C13H15F3N2O2/c1-20-6-5-9-8-18(17-12(9)19)11-4-2-3-10(7-11)13(14,15)16/h2-4,7,9H,5-6,8H2,1H3,(H,17,19)
InChIKeyOUIRDHBSZGTKMA-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one?
The IUPAC name of 4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one (CID 14840390) is 4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one.
What is the SMILES notation for 4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one?
The canonical SMILES for 4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one is COCCC1CN(c2cccc(C(F)(F)F)c2)NC1=O.
What is the InChIKey of 4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one?
The InChIKey is OUIRDHBSZGTKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-20-6-5-9-8-18(17-12(9)19)11-4-2-3-10(7-11)13(14,15)16/h2-4,7,9H,5-6,8H2,1H3,(H,17,19).
What are the key properties of 4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one?
4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one has a molecular weight of 288.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one is sourced from PubChem (CID 14840390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).