N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H15F3N4O3S — CID 3243581

IUPACN-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C14H15F3N4O3S/c1-3-18-25(23,24)10-6-4-9(5-7-10)19-13(22)11-8-12(14(15,16)17)20-21(11)2/h4-8,18H,3H2,1-2H3,(H,19,22)
InChIKeyULBDHOSWHVAMCE-UHFFFAOYSA-N
MW376.36 g/mol
LogP1.99
Rot. Bonds5

About N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 3243581) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID3243581
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC NameN-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C14H15F3N4O3S/c1-3-18-25(23,24)10-6-4-9(5-7-10)19-13(22)11-8-12(14(15,16)17)20-21(11)2/h4-8,18H,3H2,1-2H3,(H,19,22)
InChIKeyULBDHOSWHVAMCE-UHFFFAOYSA-N
XLogP1.99
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16122506
1-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 57521469
4-{[3-(3,5-Dimethyl-1h-Pyrazol-1-Yl)-3-Oxopropyl]amino}benzenesulfonamide
CID 86278564
1-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4397834
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 24895441
1-ethyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 25855841
N-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57521465
N-[4-(benzenesulfonyl)phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57521566
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895239
N-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895341
1-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895437
1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895438

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 3243581) is N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCNS(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1.
What is the InChIKey of N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ULBDHOSWHVAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c1-3-18-25(23,24)10-6-4-9(5-7-10)19-13(22)11-8-12(14(15,16)17)20-21(11)2/h4-8,18H,3H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 376.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3243581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).