1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide

C22H25ClN4O3S — CID 118725461

IUPAC1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN4O3S/c1-5-6-21-19(14-24-27(21)17-10-8-16(23)9-11-17)22(28)25-20-13-18(12-7-15(20)2)31(29,30)26(3)4/h7-14H,5-6H2,1-4H3,(H,25,28)
InChIKeyWFQPLJABSAELJR-UHFFFAOYSA-N
MW460.99 g/mol
LogP4.29
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide (PubChem CID 118725461) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
PubChem CID118725461
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC Name1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN4O3S/c1-5-6-21-19(14-24-27(21)17-10-8-16(23)9-11-17)22(28)25-20-13-18(12-7-15(20)2)31(29,30)26(3)4/h7-14H,5-6H2,1-4H3,(H,25,28)
InChIKeyWFQPLJABSAELJR-UHFFFAOYSA-N
XLogP4.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide (CID 118725461) is 1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide?
The InChIKey is WFQPLJABSAELJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-5-6-21-19(14-24-27(21)17-10-8-16(23)9-11-17)22(28)25-20-13-18(12-7-15(20)2)31(29,30)26(3)4/h7-14H,5-6H2,1-4H3,(H,25,28).
What are the key properties of 1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide has a molecular weight of 460.99 g/mol, XLogP of 4.29, 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-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 118725461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).