5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide

C19H17F3N4O4S — CID 53115373

IUPAC5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H17F3N4O4S/c1-11-3-5-14(6-4-11)26-31(28,29)18-16(12(2)24-25-18)17(27)23-13-7-9-15(10-8-13)30-19(20,21)22/h3-10,26H,1-2H3,(H,23,27)(H,24,25)
InChIKeyXELLFGIQOYZKFI-UHFFFAOYSA-N
MW454.43 g/mol
LogP3.98
Rot. Bonds6

About 5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide

5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 53115373) has the molecular formula C19H17F3N4O4S and a molecular weight of 454.43 g/mol. Its IUPAC name is 5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID53115373
Molecular FormulaC19H17F3N4O4S
Molecular Weight454.43 g/mol
Exact Mass454.09
IUPAC Name5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H17F3N4O4S/c1-11-3-5-14(6-4-11)26-31(28,29)18-16(12(2)24-25-18)17(27)23-13-7-9-15(10-8-13)30-19(20,21)22/h3-10,26H,1-2H3,(H,23,27)(H,24,25)
InChIKeyXELLFGIQOYZKFI-UHFFFAOYSA-N
XLogP3.98
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-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-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 53115387
N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 53115400
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115477
N-cyclopentyl-3-[(4-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 53115403
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
CID 112505341
3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide
CID 27449178
3,5-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43583048
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
CID 24825087

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide (CID 53115373) is 5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide is Cc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XELLFGIQOYZKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O4S/c1-11-3-5-14(6-4-11)26-31(28,29)18-16(12(2)24-25-18)17(27)23-13-7-9-15(10-8-13)30-19(20,21)22/h3-10,26H,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 454.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).