2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide

C12H23N5O2S — CID 120706370

IUPAC2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)NCCCN1CCNCC1
InChIInChI=1S/C12H23N5O2S/c1-2-17-12(4-6-14-17)20(18,19)15-5-3-9-16-10-7-13-8-11-16/h4,6,13,15H,2-3,5,7-11H2,1H3
InChIKeyOCXQDUMXDXQTEE-UHFFFAOYSA-N
MW301.42 g/mol
LogP-0.52
Rot. Bonds7

About 2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide

2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide (PubChem CID 120706370) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide
PubChem CID120706370
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide
SMILESCCn1nccc1S(=O)(=O)NCCCN1CCNCC1
InChIInChI=1S/C12H23N5O2S/c1-2-17-12(4-6-14-17)20(18,19)15-5-3-9-16-10-7-13-8-11-16/h4,6,13,15H,2-3,5,7-11H2,1H3
InChIKeyOCXQDUMXDXQTEE-UHFFFAOYSA-N
XLogP-0.52
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-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

2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
CID 122565353
1-(2-ethylpyrazol-3-yl)sulfonyl-1,4-diazepane
CID 120706967
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569
N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120708509
2-ethyl-N-methylpyrazole-3-sulfonamide
CID 130637633
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
2-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrazole-3-sulfonamide
CID 120713883
2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
CID 119994710
N-(2-amino-2-methylpropyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120711476
4-fluoro-2,6-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 120706430
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
CID 104710214

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide (CID 120706370) is 2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide is CCn1nccc1S(=O)(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide?
The InChIKey is OCXQDUMXDXQTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-2-17-12(4-6-14-17)20(18,19)15-5-3-9-16-10-7-13-8-11-16/h4,6,13,15H,2-3,5,7-11H2,1H3.
What are the key properties of 2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide?
2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 120706370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).