2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

C9H9F3N4O2 — CID 155046776

IUPAC2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccn(C(F)(F)F)n2)C1=O
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)16-4-2-6(14-16)15-3-1-5(7(13)17)8(15)18/h2,4-5H,1,3H2,(H2,13,17)
InChIKeyGHQNQXBDFWUVEK-UHFFFAOYSA-N
MW262.19 g/mol
LogP0.20
Rot. Bonds2

About 2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 155046776) has the molecular formula C9H9F3N4O2 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID155046776
Molecular FormulaC9H9F3N4O2
Molecular Weight262.19 g/mol
Exact Mass262.07
IUPAC Name2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccn(C(F)(F)F)n2)C1=O
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)16-4-2-6(14-16)15-3-1-5(7(13)17)8(15)18/h2,4-5H,1,3H2,(H2,13,17)
InChIKeyGHQNQXBDFWUVEK-UHFFFAOYSA-N
XLogP0.20
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide 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 2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 155046776) is 2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2ccn(C(F)(F)F)n2)C1=O.
What is the InChIKey of 2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is GHQNQXBDFWUVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2/c10-9(11,12)16-4-2-6(14-16)15-3-1-5(7(13)17)8(15)18/h2,4-5H,1,3H2,(H2,13,17).
What are the key properties of 2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 262.19 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 155046776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).