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

C11H13F3N4O2 — CID 162533373

IUPAC1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide
SMILESCN1CC(c2cc(C(F)(F)F)nn2C)C(C(N)=O)C1=O
InChIInChI=1S/C11H13F3N4O2/c1-17-4-5(8(9(15)19)10(17)20)6-3-7(11(12,13)14)16-18(6)2/h3,5,8H,4H2,1-2H3,(H2,15,19)
InChIKeyWXOLNURRTAKLLK-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.10
Rot. Bonds2

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

1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 162533373) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide
PubChem CID162533373
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide
SMILESCN1CC(c2cc(C(F)(F)F)nn2C)C(C(N)=O)C1=O
InChIInChI=1S/C11H13F3N4O2/c1-17-4-5(8(9(15)19)10(17)20)6-3-7(11(12,13)14)16-18(6)2/h3,5,8H,4H2,1-2H3,(H2,15,19)
InChIKeyWXOLNURRTAKLLK-UHFFFAOYSA-N
XLogP0.10
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.10
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 1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide (CID 162533373) is 1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide is CN1CC(c2cc(C(F)(F)F)nn2C)C(C(N)=O)C1=O.
What is the InChIKey of 1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is WXOLNURRTAKLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-17-4-5(8(9(15)19)10(17)20)6-3-7(11(12,13)14)16-18(6)2/h3,5,8H,4H2,1-2H3,(H2,15,19).
What are the key properties of 1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide?
1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 0.10, 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-3-(trifluoromethyl)pyrazol-5-yl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 162533373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).