1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide

C20H18ClF3N4O3S — CID 46589327

IUPAC1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C20H18ClF3N4O3S/c1-2-18-17(11-25-28(18)15-5-3-4-13(21)10-15)19(29)27-14-6-8-16(9-7-14)32(30,31)26-12-20(22,23)24/h3-11,26H,2,12H2,1H3,(H,27,29)
InChIKeyZSEKOLQSXQWADP-UHFFFAOYSA-N
MW486.90 g/mol
LogP4.18
Rot. Bonds7

About 1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 46589327) has the molecular formula C20H18ClF3N4O3S and a molecular weight of 486.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID46589327
Molecular FormulaC20H18ClF3N4O3S
Molecular Weight486.90 g/mol
Exact Mass486.07
IUPAC Name1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C20H18ClF3N4O3S/c1-2-18-17(11-25-28(18)15-5-3-4-13(21)10-15)19(29)27-14-6-8-16(9-7-14)32(30,31)26-12-20(22,23)24/h3-11,26H,2,12H2,1H3,(H,27,29)
InChIKeyZSEKOLQSXQWADP-UHFFFAOYSA-N
XLogP4.18
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.90
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 55581448
1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide
CID 55864191
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 46400590
1-(3-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-ethylpyrazole-4-carboxamide
CID 55595506
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 24674521
1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46635513

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide (CID 46589327) is 1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is ZSEKOLQSXQWADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O3S/c1-2-18-17(11-25-28(18)15-5-3-4-13(21)10-15)19(29)27-14-6-8-16(9-7-14)32(30,31)26-12-20(22,23)24/h3-11,26H,2,12H2,1H3,(H,27,29).
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 486.90 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46589327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).