1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H16ClF3N4O3S — CID 58866198

IUPAC1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C20H16ClF3N4O3S/c21-12-4-8-15(9-5-12)28-18(20(22,23)24)17(11-25-28)19(29)26-14-2-1-3-16(10-14)32(30,31)27-13-6-7-13/h1-5,8-11,13,27H,6-7H2,(H,26,29)
InChIKeyVPACHPKPCWTCAF-UHFFFAOYSA-N
MW484.89 g/mol
LogP4.24
Rot. Bonds6

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

1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 58866198) has the molecular formula C20H16ClF3N4O3S and a molecular weight of 484.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID58866198
Molecular FormulaC20H16ClF3N4O3S
Molecular Weight484.89 g/mol
Exact Mass484.06
IUPAC Name1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C20H16ClF3N4O3S/c21-12-4-8-15(9-5-12)28-18(20(22,23)24)17(11-25-28)19(29)26-14-2-1-3-16(10-14)32(30,31)27-13-6-7-13/h1-5,8-11,13,27H,6-7H2,(H,26,29)
InChIKeyVPACHPKPCWTCAF-UHFFFAOYSA-N
XLogP4.24
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.89
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[3-(cyclopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46691330
1-(4-chlorophenyl)-N-[3-[2-(dimethylamino)ethylsulfamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90935405
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91135448
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
[3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]boronic acid
CID 58866199
1-(4-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46827913
1-(4-chlorophenyl)-N-(3-methylsulfinylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91529607
1-(3-chlorophenyl)-N-[3-(cyclopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465797
1-(4-chlorophenyl)-N-(3-pyridin-3-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91501309
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
1-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46553625

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 58866198) is 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is VPACHPKPCWTCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O3S/c21-12-4-8-15(9-5-12)28-18(20(22,23)24)17(11-25-28)19(29)26-14-2-1-3-16(10-14)32(30,31)27-13-6-7-13/h1-5,8-11,13,27H,6-7H2,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 484.89 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58866198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).