N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide

C11H22N4O2S — CID 19681729

IUPACN-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCCCN(C)C)c1C
InChIInChI=1S/C11H22N4O2S/c1-5-15-10(2)11(9-12-15)18(16,17)13-7-6-8-14(3)4/h9,13H,5-8H2,1-4H3
InChIKeyPPGBJOCQUCCBDD-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.44
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide

N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 19681729) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID19681729
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCCCN(C)C)c1C
InChIInChI=1S/C11H22N4O2S/c1-5-15-10(2)11(9-12-15)18(16,17)13-7-6-8-14(3)4/h9,13H,5-8H2,1-4H3
InChIKeyPPGBJOCQUCCBDD-UHFFFAOYSA-N
XLogP0.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
CID 19681472
5-amino-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-sulfonamide
CID 82459771
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19680760
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19581976
1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682093
4-tert-butyl-N-[3-(dimethylamino)propyl]-2,6-dimethylbenzenesulfonamide
CID 110758589
N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22201552
N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22203281
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
4-bromo-5-[3-(dimethylamino)propylamino]-2-ethylpyridazin-3-one
CID 114432587
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 2804483

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 19681729) is N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)NCCCN(C)C)c1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is PPGBJOCQUCCBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-15-10(2)11(9-12-15)18(16,17)13-7-6-8-14(3)4/h9,13H,5-8H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).