4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide

C21H19F3N4O3S — CID 55503618

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H19F3N4O3S/c1-14-12-19(28(26-14)18-5-2-4-16(13-18)21(22,23)24)25-20(29)15-6-8-17(9-7-15)27-10-3-11-32(27,30)31/h2,4-9,12-13H,3,10-11H2,1H3,(H,25,29)
InChIKeyZNHZQKSIHGUGDT-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.99
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide (PubChem CID 55503618) has the molecular formula C21H19F3N4O3S and a molecular weight of 464.47 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
PubChem CID55503618
Molecular FormulaC21H19F3N4O3S
Molecular Weight464.47 g/mol
Exact Mass464.11
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H19F3N4O3S/c1-14-12-19(28(26-14)18-5-2-4-16(13-18)21(22,23)24)25-20(29)15-6-8-17(9-7-15)27-10-3-11-32(27,30)31/h2,4-9,12-13H,3,10-11H2,1H3,(H,25,29)
InChIKeyZNHZQKSIHGUGDT-UHFFFAOYSA-N
XLogP3.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide
CID 55537571
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 17497673
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 78883780
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 55508208
3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502941
4-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 55871877
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 7483289
1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55519076
(E)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 55537906
1-acetyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 126779984
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 121054557

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide (CID 55503618) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
The InChIKey is ZNHZQKSIHGUGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3S/c1-14-12-19(28(26-14)18-5-2-4-16(13-18)21(22,23)24)25-20(29)15-6-8-17(9-7-15)27-10-3-11-32(27,30)31/h2,4-9,12-13H,3,10-11H2,1H3,(H,25,29).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide has a molecular weight of 464.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 55503618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).