1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide

C11H22N4O2S — CID 55100929

IUPAC1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCCNCCNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H22N4O2S/c1-5-6-12-7-8-13-18(16,17)11-9(2)14-15(4)10(11)3/h12-13H,5-8H2,1-4H3
InChIKeyJGIQTEHSZZVDJJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.31
Rot. Bonds7

About 1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 55100929) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID55100929
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCCNCCNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H22N4O2S/c1-5-6-12-7-8-13-18(16,17)11-9(2)14-15(4)10(11)3/h12-13H,5-8H2,1-4H3
InChIKeyJGIQTEHSZZVDJJ-UHFFFAOYSA-N
XLogP0.31
TPSA76.02 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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 83040038
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
CID 126821597
1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684327
7-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]heptanoic acid
CID 43241419
N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62666487
1,3,5-trimethyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 22207301
N-butyl-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3765982
5-amino-N-butyl-1,3-dimethylpyrazole-4-sulfonamide
CID 82460005
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22771313

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide (CID 55100929) is 1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide is CCCNCCNS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of 1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is JGIQTEHSZZVDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-6-12-7-8-13-18(16,17)11-9(2)14-15(4)10(11)3/h12-13H,5-8H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 55100929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).