5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide

C21H24N4O3S — CID 166233647

IUPAC5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)c2cnn(C)c2Cc2ccccc2)c1
InChIInChI=1S/C21H24N4O3S/c1-15(17-10-7-11-18(13-17)29(27,28)22-2)24-21(26)19-14-23-25(3)20(19)12-16-8-5-4-6-9-16/h4-11,13-15,22H,12H2,1-3H3,(H,24,26)
InChIKeyOJBPRQDOQNOPMD-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.41
Rot. Bonds7

About 5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide

5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 166233647) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
PubChem CID166233647
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)c2cnn(C)c2Cc2ccccc2)c1
InChIInChI=1S/C21H24N4O3S/c1-15(17-10-7-11-18(13-17)29(27,28)22-2)24-21(26)19-14-23-25(3)20(19)12-16-8-5-4-6-9-16/h4-11,13-15,22H,12H2,1-3H3,(H,24,26)
InChIKeyOJBPRQDOQNOPMD-UHFFFAOYSA-N
XLogP2.41
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide (CID 166233647) is 5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide is CNS(=O)(=O)c1cccc(C(C)NC(=O)c2cnn(C)c2Cc2ccccc2)c1.
What is the InChIKey of 5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is OJBPRQDOQNOPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-15(17-10-7-11-18(13-17)29(27,28)22-2)24-21(26)19-14-23-25(3)20(19)12-16-8-5-4-6-9-16/h4-11,13-15,22H,12H2,1-3H3,(H,24,26).
What are the key properties of 5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide?
5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166233647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).