1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide

C12H23N3O2S — CID 19681322

IUPAC1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1cnn(CC)c1
InChIInChI=1S/C12H23N3O2S/c1-4-6-7-8-11(3)14-18(16,17)12-9-13-15(5-2)10-12/h9-11,14H,4-8H2,1-3H3
InChIKeyFNZCXCMEPRFOQY-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.15
Rot. Bonds8

About 1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide

1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide (PubChem CID 19681322) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
PubChem CID19681322
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1cnn(CC)c1
InChIInChI=1S/C12H23N3O2S/c1-4-6-7-8-11(3)14-18(16,17)12-9-13-15(5-2)10-12/h9-11,14H,4-8H2,1-3H3
InChIKeyFNZCXCMEPRFOQY-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(hexan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 62200769
1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
CID 106046344
1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide
CID 19684235
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
1-[3-(ethylamino)propyl]-N-(4-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106080120
N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
CID 106084613
N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
1-[3-(ethylamino)propyl]-N-(1-methylsulfanylpropan-2-yl)pyrazole-4-sulfonamide
CID 106079543
1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 131938947
1-[3-(ethylamino)propyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028314
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
N-(1-ethylpyrazol-4-yl)sulfonyl-3-methylbutanamide
CID 71978358

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide (CID 19681322) is 1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide is CCCCCC(C)NS(=O)(=O)c1cnn(CC)c1.
What is the InChIKey of 1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide?
The InChIKey is FNZCXCMEPRFOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-6-7-8-11(3)14-18(16,17)12-9-13-15(5-2)10-12/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide?
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).