2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide

C14H24N4O3S — CID 8901194

IUPAC2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide
SMILESCc1nn(CC(=O)NC2CC2)c(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C14H24N4O3S/c1-9-13(22(20,21)17-14(3,4)5)10(2)18(16-9)8-12(19)15-11-6-7-11/h11,17H,6-8H2,1-5H3,(H,15,19)
InChIKeyGIMZWVZEQDGBGR-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.86
Rot. Bonds5

About 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide

2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide (PubChem CID 8901194) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide
PubChem CID8901194
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide
SMILESCc1nn(CC(=O)NC2CC2)c(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C14H24N4O3S/c1-9-13(22(20,21)17-14(3,4)5)10(2)18(16-9)8-12(19)15-11-6-7-11/h11,17H,6-8H2,1-5H3,(H,15,19)
InChIKeyGIMZWVZEQDGBGR-UHFFFAOYSA-N
XLogP0.86
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide (CID 8901194) is 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide is Cc1nn(CC(=O)NC2CC2)c(C)c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide?
The InChIKey is GIMZWVZEQDGBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-9-13(22(20,21)17-14(3,4)5)10(2)18(16-9)8-12(19)15-11-6-7-11/h11,17H,6-8H2,1-5H3,(H,15,19).
What are the key properties of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide?
2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide has a molecular weight of 328.44 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 8901194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).