2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide

C10H18N4O3S — CID 8898142

IUPAC2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C10H18N4O3S/c1-7-10(18(16,17)13(4)5)8(2)14(12-7)6-9(15)11-3/h6H2,1-5H3,(H,11,15)
InChIKeyADXZEDCTOAUOMQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.50
Rot. Bonds4

About 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide

2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide (PubChem CID 8898142) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
PubChem CID8898142
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C10H18N4O3S/c1-7-10(18(16,17)13(4)5)8(2)14(12-7)6-9(15)11-3/h6H2,1-5H3,(H,11,15)
InChIKeyADXZEDCTOAUOMQ-UHFFFAOYSA-N
XLogP-0.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide (CID 8898142) is 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide?
The InChIKey is ADXZEDCTOAUOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7-10(18(16,17)13(4)5)8(2)14(12-7)6-9(15)11-3/h6H2,1-5H3,(H,11,15).
What are the key properties of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide?
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide has a molecular weight of 274.35 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 8898142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).