N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide

C7H12N4O3S — CID 137499481

IUPACN,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(S(N)(=O)=O)nn1C
InChIInChI=1S/C7H12N4O3S/c1-10(2)7(12)5-4-6(9-11(5)3)15(8,13)14/h4H,1-3H3,(H2,8,13,14)
InChIKeyCSOFODJZFCSLLW-UHFFFAOYSA-N
MW232.26 g/mol
LogP-1.23
Rot. Bonds2

About N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide

N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide (PubChem CID 137499481) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide
PubChem CID137499481
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC NameN,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(S(N)(=O)=O)nn1C
InChIInChI=1S/C7H12N4O3S/c1-10(2)7(12)5-4-6(9-11(5)3)15(8,13)14/h4H,1-3H3,(H2,8,13,14)
InChIKeyCSOFODJZFCSLLW-UHFFFAOYSA-N
XLogP-1.23
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide?
The IUPAC name of N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide (CID 137499481) is N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide?
The canonical SMILES for N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide is CN(C)C(=O)c1cc(S(N)(=O)=O)nn1C.
What is the InChIKey of N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide?
The InChIKey is CSOFODJZFCSLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c1-10(2)7(12)5-4-6(9-11(5)3)15(8,13)14/h4H,1-3H3,(H2,8,13,14).
What are the key properties of N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide?
N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide has a molecular weight of 232.26 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-3-sulfamoylpyrazole-5-carboxamide is sourced from PubChem (CID 137499481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).