1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide

C23H27ClN4O3S — CID 55894145

IUPAC1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN4O3S/c1-15(2)22-21(14-25-28(22)19-10-8-18(24)9-11-19)23(29)26-16(3)17-6-12-20(13-7-17)32(30,31)27(4)5/h6-16H,1-5H3,(H,26,29)
InChIKeyFSQMWUCFIPUVFJ-UHFFFAOYSA-N
MW475.01 g/mol
LogP4.39
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55894145) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55894145
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC Name1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN4O3S/c1-15(2)22-21(14-25-28(22)19-10-8-18(24)9-11-19)23(29)26-16(3)17-6-12-20(13-7-17)32(30,31)27(4)5/h6-16H,1-5H3,(H,26,29)
InChIKeyFSQMWUCFIPUVFJ-UHFFFAOYSA-N
XLogP4.39
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46580476
1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55585824
1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 55894518
1-(4-chlorophenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55693629
1-(4-chlorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39694176
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55676094
1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 46578034
2-[(4-chlorophenyl)methoxy]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 60535034
N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 56581255

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 55894145) is 1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is FSQMWUCFIPUVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-15(2)22-21(14-25-28(22)19-10-8-18(24)9-11-19)23(29)26-16(3)17-6-12-20(13-7-17)32(30,31)27(4)5/h6-16H,1-5H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 475.01 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55894145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).