N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide

C12H23N3O2S — CID 22201552

IUPACN-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NC(C)C(C)(C)C)c1C
InChIInChI=1S/C12H23N3O2S/c1-7-15-9(2)11(8-13-15)18(16,17)14-10(3)12(4,5)6/h8,10,14H,7H2,1-6H3
InChIKeyYIEMXXLVKHVTNN-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.92
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide

N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 22201552) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID22201552
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NC(C)C(C)(C)C)c1C
InChIInChI=1S/C12H23N3O2S/c1-7-15-9(2)11(8-13-15)18(16,17)14-10(3)12(4,5)6/h8,10,14H,7H2,1-6H3
InChIKeyYIEMXXLVKHVTNN-UHFFFAOYSA-N
XLogP1.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide
CID 19684235
1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole
CID 135209476
1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682093
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
CID 6464788
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19584255
1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
CID 19681472
N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19681729
N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22773468
5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 82459830
4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22209047
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19680760
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 22201552) is N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)NC(C)C(C)(C)C)c1C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is YIEMXXLVKHVTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-7-15-9(2)11(8-13-15)18(16,17)14-10(3)12(4,5)6/h8,10,14H,7H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 22201552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).