1-methyl-5-(trifluoromethyl)pyrazolidin-3-one

C5H7F3N2O — CID 10261473

IUPAC1-methyl-5-(trifluoromethyl)pyrazolidin-3-one
SMILESCN1NC(=O)CC1C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-10-3(5(6,7)8)2-4(11)9-10/h3H,2H2,1H3,(H,9,11)
InChIKeySMTSBECFEHOPHZ-UHFFFAOYSA-N
MW168.12 g/mol
LogP0.28
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)pyrazolidin-3-one

1-methyl-5-(trifluoromethyl)pyrazolidin-3-one (PubChem CID 10261473) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)pyrazolidin-3-one
PubChem CID10261473
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name1-methyl-5-(trifluoromethyl)pyrazolidin-3-one
SMILESCN1NC(=O)CC1C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-10-3(5(6,7)8)2-4(11)9-10/h3H,2H2,1H3,(H,9,11)
InChIKeySMTSBECFEHOPHZ-UHFFFAOYSA-N
XLogP0.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)pyrazolidin-3-one?
The IUPAC name of 1-methyl-5-(trifluoromethyl)pyrazolidin-3-one (CID 10261473) is 1-methyl-5-(trifluoromethyl)pyrazolidin-3-one.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)pyrazolidin-3-one?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)pyrazolidin-3-one is CN1NC(=O)CC1C(F)(F)F.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)pyrazolidin-3-one?
The InChIKey is SMTSBECFEHOPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c1-10-3(5(6,7)8)2-4(11)9-10/h3H,2H2,1H3,(H,9,11).
What are the key properties of 1-methyl-5-(trifluoromethyl)pyrazolidin-3-one?
1-methyl-5-(trifluoromethyl)pyrazolidin-3-one has a molecular weight of 168.12 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)pyrazolidin-3-one is sourced from PubChem (CID 10261473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).