3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide

C10H20N4O4S2 — CID 79551640

IUPAC3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)c(N)n1
InChIInChI=1S/C10H20N4O4S2/c1-5-14-6-8(9(11)13-14)20(17,18)12-7-10(2,3)19(4,15)16/h6,12H,5,7H2,1-4H3,(H2,11,13)
InChIKeyQEBGGHRQFKBVHK-UHFFFAOYSA-N
MW324.43 g/mol
LogP-0.41
Rot. Bonds6

About 3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide (PubChem CID 79551640) has the molecular formula C10H20N4O4S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
PubChem CID79551640
Molecular FormulaC10H20N4O4S2
Molecular Weight324.43 g/mol
Exact Mass324.09
IUPAC Name3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)c(N)n1
InChIInChI=1S/C10H20N4O4S2/c1-5-14-6-8(9(11)13-14)20(17,18)12-7-10(2,3)19(4,15)16/h6,12H,5,7H2,1-4H3,(H2,11,13)
InChIKeyQEBGGHRQFKBVHK-UHFFFAOYSA-N
XLogP-0.41
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274993
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
3-amino-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 63242904
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
CID 107843719
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
CID 63999689
3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
CID 104758504

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide (CID 79551640) is 3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide?
The InChIKey is QEBGGHRQFKBVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4S2/c1-5-14-6-8(9(11)13-14)20(17,18)12-7-10(2,3)19(4,15)16/h6,12H,5,7H2,1-4H3,(H2,11,13).
What are the key properties of 3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide has a molecular weight of 324.43 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 79551640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).