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

C9H9F3N4O2 — CID 155046777

IUPAC2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C2(C(F)(F)F)C=CN=N2)C1=O
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)8(2-3-14-15-8)16-4-1-5(6(13)17)7(16)18/h2-3,5H,1,4H2,(H2,13,17)
InChIKeyUUSHEELOHAOKQZ-UHFFFAOYSA-N
MW262.19 g/mol
LogP0.56
Rot. Bonds2

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

2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 155046777) has the molecular formula C9H9F3N4O2 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID155046777
Molecular FormulaC9H9F3N4O2
Molecular Weight262.19 g/mol
Exact Mass262.07
IUPAC Name2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C2(C(F)(F)F)C=CN=N2)C1=O
InChIInChI=1S/C9H9F3N4O2/c10-9(11,12)8(2-3-14-15-8)16-4-1-5(6(13)17)7(16)18/h2-3,5H,1,4H2,(H2,13,17)
InChIKeyUUSHEELOHAOKQZ-UHFFFAOYSA-N
XLogP0.56
TPSA88.12 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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 155046777) is 2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(C2(C(F)(F)F)C=CN=N2)C1=O.
What is the InChIKey of 2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is UUSHEELOHAOKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2/c10-9(11,12)8(2-3-14-15-8)16-4-1-5(6(13)17)7(16)18/h2-3,5H,1,4H2,(H2,13,17).
What are the key properties of 2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 262.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[3-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 155046777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).