N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide

C11H20N4O3S — CID 77097546

IUPACN-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H20N4O3S/c1-9(2)15-7-5-10(13-15)11(16)12-6-8-19(17,18)14(3)4/h5,7,9H,6,8H2,1-4H3,(H,12,16)
InChIKeySDJNLBRNHAZGBR-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.09
Rot. Bonds6

About N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 77097546) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID77097546
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H20N4O3S/c1-9(2)15-7-5-10(13-15)11(16)12-6-8-19(17,18)14(3)4/h5,7,9H,6,8H2,1-4H3,(H,12,16)
InChIKeySDJNLBRNHAZGBR-UHFFFAOYSA-N
XLogP0.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 77097546) is N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)NCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is SDJNLBRNHAZGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9(2)15-7-5-10(13-15)11(16)12-6-8-19(17,18)14(3)4/h5,7,9H,6,8H2,1-4H3,(H,12,16).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 77097546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).