1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H18ClF3N4O3S — CID 33207160

IUPAC1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C20H18ClF3N4O3S/c1-27(2)32(30,31)17-9-4-3-6-13(17)11-25-19(29)16-12-26-28(18(16)20(22,23)24)15-8-5-7-14(21)10-15/h3-10,12H,11H2,1-2H3,(H,25,29)
InChIKeyRYWQUJDQPDPSSD-UHFFFAOYSA-N
MW486.90 g/mol
LogP3.72
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 33207160) has the molecular formula C20H18ClF3N4O3S and a molecular weight of 486.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID33207160
Molecular FormulaC20H18ClF3N4O3S
Molecular Weight486.90 g/mol
Exact Mass486.07
IUPAC Name1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C20H18ClF3N4O3S/c1-27(2)32(30,31)17-9-4-3-6-13(17)11-25-19(29)16-12-26-28(18(16)20(22,23)24)15-8-5-7-14(21)10-15/h3-10,12H,11H2,1-2H3,(H,25,29)
InChIKeyRYWQUJDQPDPSSD-UHFFFAOYSA-N
XLogP3.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.90
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55544999
1-(3-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33123277
1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32535150
1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42817677
1-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32937999
1-(3-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46642923
1-(3-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33103491
1-(3-chlorophenyl)-5-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 33331621
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18226723
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 50904512
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 33207160) is 1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RYWQUJDQPDPSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O3S/c1-27(2)32(30,31)17-9-4-3-6-13(17)11-25-19(29)16-12-26-28(18(16)20(22,23)24)15-8-5-7-14(21)10-15/h3-10,12H,11H2,1-2H3,(H,25,29).
What are the key properties of 1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 486.90 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 33207160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).