1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide

C12H24N4O3S — CID 106074259

IUPAC1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cnn(CCCN)c1
InChIInChI=1S/C12H24N4O3S/c1-2-8-19-9-4-6-15-20(17,18)12-10-14-16(11-12)7-3-5-13/h10-11,15H,2-9,13H2,1H3
InChIKeyGAOBAVPDDQMKLK-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.33
Rot. Bonds11

About 1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide (PubChem CID 106074259) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
PubChem CID106074259
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cnn(CCCN)c1
InChIInChI=1S/C12H24N4O3S/c1-2-8-19-9-4-6-15-20(17,18)12-10-14-16(11-12)7-3-5-13/h10-11,15H,2-9,13H2,1H3
InChIKeyGAOBAVPDDQMKLK-UHFFFAOYSA-N
XLogP0.33
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide
CID 106001877
N-(3-butoxypropyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106080429
N-(2-ethoxyethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106020171
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
N-(2-methylsulfanylethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106063821
1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106093633
1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106093615
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970
1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 106411125
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide (CID 106074259) is 1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide is CCCOCCCNS(=O)(=O)c1cnn(CCCN)c1.
What is the InChIKey of 1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide?
The InChIKey is GAOBAVPDDQMKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-2-8-19-9-4-6-15-20(17,18)12-10-14-16(11-12)7-3-5-13/h10-11,15H,2-9,13H2,1H3.
What are the key properties of 1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 0.33, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106074259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).