N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide

C7H12N4O3S — CID 102685056

IUPACN-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cn[nH]c1
InChIInChI=1S/C7H12N4O3S/c1-8-15(13,14)3-2-9-7(12)6-4-10-11-5-6/h4-5,8H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyHFNPMUIAFIAWCD-UHFFFAOYSA-N
MW232.26 g/mol
LogP-1.31
Rot. Bonds5

About N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide

N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 102685056) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID102685056
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cn[nH]c1
InChIInChI=1S/C7H12N4O3S/c1-8-15(13,14)3-2-9-7(12)6-4-10-11-5-6/h4-5,8H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyHFNPMUIAFIAWCD-UHFFFAOYSA-N
XLogP-1.31
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide (CID 102685056) is N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide is CNS(=O)(=O)CCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is HFNPMUIAFIAWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c1-8-15(13,14)3-2-9-7(12)6-4-10-11-5-6/h4-5,8H,2-3H2,1H3,(H,9,12)(H,10,11).
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide?
N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 232.26 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 102685056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).