1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid

C11H12F3N3O3 — CID 155024409

IUPAC1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid
SMILESCN1CC(c2cc(C(F)(F)F)n(C)n2)C(C(=O)O)C1=O
InChIInChI=1S/C11H12F3N3O3/c1-16-4-5(8(9(16)18)10(19)20)6-3-7(11(12,13)14)17(2)15-6/h3,5,8H,4H2,1-2H3,(H,19,20)
InChIKeyBXDBSTTVLIADLA-UHFFFAOYSA-N
MW291.23 g/mol
LogP0.70
Rot. Bonds2

About 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid

1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 155024409) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid
PubChem CID155024409
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid
SMILESCN1CC(c2cc(C(F)(F)F)n(C)n2)C(C(=O)O)C1=O
InChIInChI=1S/C11H12F3N3O3/c1-16-4-5(8(9(16)18)10(19)20)6-3-7(11(12,13)14)17(2)15-6/h3,5,8H,4H2,1-2H3,(H,19,20)
InChIKeyBXDBSTTVLIADLA-UHFFFAOYSA-N
XLogP0.70
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid (CID 155024409) is 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid is CN1CC(c2cc(C(F)(F)F)n(C)n2)C(C(=O)O)C1=O.
What is the InChIKey of 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid?
The InChIKey is BXDBSTTVLIADLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-16-4-5(8(9(16)18)10(19)20)6-3-7(11(12,13)14)17(2)15-6/h3,5,8H,4H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid?
1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid has a molecular weight of 291.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 155024409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).