1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

C15H15F3N4O2S — CID 110278341

IUPAC1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2cnn(CC(F)(F)F)c2)C1c1cccs1
InChIInChI=1S/C15H15F3N4O2S/c1-21-12(23)5-10(13(21)11-3-2-4-25-11)14(24)20-9-6-19-22(7-9)8-15(16,17)18/h2-4,6-7,10,13H,5,8H2,1H3,(H,20,24)
InChIKeyARMINESNOMCMGF-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.66
Rot. Bonds4

About 1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 110278341) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is 1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID110278341
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC Name1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2cnn(CC(F)(F)F)c2)C1c1cccs1
InChIInChI=1S/C15H15F3N4O2S/c1-21-12(23)5-10(13(21)11-3-2-4-25-11)14(24)20-9-6-19-22(7-9)8-15(16,17)18/h2-4,6-7,10,13H,5,8H2,1H3,(H,20,24)
InChIKeyARMINESNOMCMGF-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 110278341) is 1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is CN1C(=O)CC(C(=O)Nc2cnn(CC(F)(F)F)c2)C1c1cccs1.
What is the InChIKey of 1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is ARMINESNOMCMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c1-21-12(23)5-10(13(21)11-3-2-4-25-11)14(24)20-9-6-19-22(7-9)8-15(16,17)18/h2-4,6-7,10,13H,5,8H2,1H3,(H,20,24).
What are the key properties of 1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 372.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-2-thiophen-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110278341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).