1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide

C11H21N3O2S — CID 19682093

IUPAC1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NC(C)(C)CC)c1C
InChIInChI=1S/C11H21N3O2S/c1-6-11(4,5)13-17(15,16)10-8-12-14(7-2)9(10)3/h8,13H,6-7H2,1-5H3
InChIKeyAMPZRALLHUFHDM-UHFFFAOYSA-N
MW259.38 g/mol
LogP1.68
Rot. Bonds5

About 1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide

1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide (PubChem CID 19682093) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
PubChem CID19682093
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC Name1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NC(C)(C)CC)c1C
InChIInChI=1S/C11H21N3O2S/c1-6-11(4,5)13-17(15,16)10-8-12-14(7-2)9(10)3/h8,13H,6-7H2,1-5H3
InChIKeyAMPZRALLHUFHDM-UHFFFAOYSA-N
XLogP1.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22201552
1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
CID 19681472
1-ethyl-3-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682091
1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole
CID 135209476
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19680760
N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19681729
N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22773468
1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide
CID 19684235
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22205233
N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22203281
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 6471033

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide (CID 19682093) is 1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)NC(C)(C)CC)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is AMPZRALLHUFHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-6-11(4,5)13-17(15,16)10-8-12-14(7-2)9(10)3/h8,13H,6-7H2,1-5H3.
What are the key properties of 1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 259.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19682093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).