3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide

C13H14F3N3O3S — CID 54029200

IUPAC3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide
SMILESCCC1C=CNN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O3S/c1-2-9-7-8-17-19(9)12(20)18-23(21,22)11-6-4-3-5-10(11)13(14,15)16/h3-9,17H,2H2,1H3,(H,18,20)
InChIKeyLEJHRUTUBSPJBI-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.22
Rot. Bonds3

About 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide

3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide (PubChem CID 54029200) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide
PubChem CID54029200
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC Name3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide
SMILESCCC1C=CNN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O3S/c1-2-9-7-8-17-19(9)12(20)18-23(21,22)11-6-4-3-5-10(11)13(14,15)16/h3-9,17H,2H2,1H3,(H,18,20)
InChIKeyLEJHRUTUBSPJBI-UHFFFAOYSA-N
XLogP2.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
CID 106585555
N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271978
3-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 81067049
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid
CID 60661367
N-(4-bromo-2,2-dimethylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 106145755
N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 17487398
3-hydroxy-2-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 167825235
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
[2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-dimethylazanium
CID 8716900
N-(2-hydroxy-3-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754908

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide (CID 54029200) is 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide is CCC1C=CNN1C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The InChIKey is LEJHRUTUBSPJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-2-9-7-8-17-19(9)12(20)18-23(21,22)11-6-4-3-5-10(11)13(14,15)16/h3-9,17H,2H2,1H3,(H,18,20).
What are the key properties of 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide has a molecular weight of 349.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 54029200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).