5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide

C11H22N4O2S — CID 82460000

IUPAC5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C11H22N4O2S/c1-4-5-6-7-8-13-18(16,17)10-9(2)14-15(3)11(10)12/h13H,4-8,12H2,1-3H3
InChIKeyIQDTWYMELIIAJI-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.17
Rot. Bonds7

About 5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide

5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 82460000) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID82460000
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C11H22N4O2S/c1-4-5-6-7-8-13-18(16,17)10-9(2)14-15(3)11(10)12/h13H,4-8,12H2,1-3H3
InChIKeyIQDTWYMELIIAJI-UHFFFAOYSA-N
XLogP1.17
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358452
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358515
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
1,5-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105358655
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-N-cyclopropyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358767
3-amino-1,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105358902
3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105359038
1,5-Dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105359039
3-amino-N-(2,2-difluoroethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359159

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide (CID 82460000) is 5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide is CCCCCCNS(=O)(=O)c1c(C)nn(C)c1N.
What is the InChIKey of 5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is IQDTWYMELIIAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-4-5-6-7-8-13-18(16,17)10-9(2)14-15(3)11(10)12/h13H,4-8,12H2,1-3H3.
What are the key properties of 5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide?
5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-hexyl-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 82460000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).