1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide

C15H20N4O3S — CID 34643575

IUPAC1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H20N4O3S/c1-10-14(11(2)19(4)18-10)15(20)17-9-12-6-5-7-13(8-12)23(21,22)16-3/h5-8,16H,9H2,1-4H3,(H,17,20)
InChIKeyAVVQMYKJOAXKHQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.88
Rot. Bonds5

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

1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 34643575) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID34643575
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H20N4O3S/c1-10-14(11(2)19(4)18-10)15(20)17-9-12-6-5-7-13(8-12)23(21,22)16-3/h5-8,16H,9H2,1-4H3,(H,17,20)
InChIKeyAVVQMYKJOAXKHQ-UHFFFAOYSA-N
XLogP0.88
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide (CID 34643575) is 1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)c2c(C)nn(C)c2C)c1.
What is the InChIKey of 1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is AVVQMYKJOAXKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-14(11(2)19(4)18-10)15(20)17-9-12-6-5-7-13(8-12)23(21,22)16-3/h5-8,16H,9H2,1-4H3,(H,17,20).
What are the key properties of 1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 34643575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).