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

C23H28N4O3S — CID 118725463

IUPAC1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1Cc1ccccc1
InChIInChI=1S/C23H28N4O3S/c1-5-9-22-20(15-24-27(22)16-18-10-7-6-8-11-18)23(28)25-21-14-19(13-12-17(21)2)31(29,30)26(3)4/h6-8,10-15H,5,9,16H2,1-4H3,(H,25,28)
InChIKeyZZGNHONXMCUDQE-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.69
Rot. Bonds8

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

1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide (PubChem CID 118725463) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
PubChem CID118725463
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1Cc1ccccc1
InChIInChI=1S/C23H28N4O3S/c1-5-9-22-20(15-24-27(22)16-18-10-7-6-8-11-18)23(28)25-21-14-19(13-12-17(21)2)31(29,30)26(3)4/h6-8,10-15H,5,9,16H2,1-4H3,(H,25,28)
InChIKeyZZGNHONXMCUDQE-UHFFFAOYSA-N
XLogP3.69
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide (CID 118725463) is 1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide?
The InChIKey is ZZGNHONXMCUDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-5-9-22-20(15-24-27(22)16-18-10-7-6-8-11-18)23(28)25-21-14-19(13-12-17(21)2)31(29,30)26(3)4/h6-8,10-15H,5,9,16H2,1-4H3,(H,25,28).
What are the key properties of 1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide?
1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 118725463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).