3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide

C12H23N3O4S2 — CID 106735879

IUPAC3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide
SMILESCCc1nn(CCS(=O)(=O)C(C)C)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C12H23N3O4S2/c1-5-10-12(21(13,18)19)11(6-2)15(14-10)7-8-20(16,17)9(3)4/h9H,5-8H2,1-4H3,(H2,13,18,19)
InChIKeyJTKKYQCIQDILPV-UHFFFAOYSA-N
MW337.47 g/mol
LogP0.48
Rot. Bonds7

About 3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide

3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide (PubChem CID 106735879) has the molecular formula C12H23N3O4S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide
PubChem CID106735879
Molecular FormulaC12H23N3O4S2
Molecular Weight337.47 g/mol
Exact Mass337.11
IUPAC Name3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide
SMILESCCc1nn(CCS(=O)(=O)C(C)C)c(CC)c1S(N)(=O)=O
InChIInChI=1S/C12H23N3O4S2/c1-5-10-12(21(13,18)19)11(6-2)15(14-10)7-8-20(16,17)9(3)4/h9H,5-8H2,1-4H3,(H2,13,18,19)
InChIKeyJTKKYQCIQDILPV-UHFFFAOYSA-N
XLogP0.48
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-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

1-butyl-3,5-diethylpyrazole-4-sulfonamide
CID 82700722
3,5-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide
CID 115943810
3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
CID 82702839
1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine
CID 106730619
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole-4-sulfonyl chloride
CID 82694926
3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 82700004
1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 106730624
2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 79224877
3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazole-4-sulfonyl chloride
CID 103036320
3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride
CID 82916570
1-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 82697018
3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine
CID 82702521

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide (CID 106735879) is 3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide is CCc1nn(CCS(=O)(=O)C(C)C)c(CC)c1S(N)(=O)=O.
What is the InChIKey of 3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide?
The InChIKey is JTKKYQCIQDILPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S2/c1-5-10-12(21(13,18)19)11(6-2)15(14-10)7-8-20(16,17)9(3)4/h9H,5-8H2,1-4H3,(H2,13,18,19).
What are the key properties of 3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide?
3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide has a molecular weight of 337.47 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106735879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).