1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one

C10H9F3N2O — CID 13012230

IUPAC1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one
SMILESO=C1CCN(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-2-1-3-8(6-7)15-5-4-9(16)14-15/h1-3,6H,4-5H2,(H,14,16)
InChIKeyULGPMPUGVQLHFF-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.95
Rot. Bonds1

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

1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one (PubChem CID 13012230) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one
PubChem CID13012230
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one
SMILESO=C1CCN(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)7-2-1-3-8(6-7)15-5-4-9(16)14-15/h1-3,6H,4-5H2,(H,14,16)
InChIKeyULGPMPUGVQLHFF-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one (CID 13012230) is 1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one is O=C1CCN(c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one?
The InChIKey is ULGPMPUGVQLHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)7-2-1-3-8(6-7)15-5-4-9(16)14-15/h1-3,6H,4-5H2,(H,14,16).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one?
1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one has a molecular weight of 230.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one is sourced from PubChem (CID 13012230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).