5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide

C8H16N4O3S — CID 60813356

IUPAC5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H16N4O3S/c1-2-15-5-3-4-11-16(13,14)7-6-10-12-8(7)9/h6,11H,2-5H2,1H3,(H3,9,10,12)
InChIKeyJRFFDDUSSUMBKM-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.30
Rot. Bonds7

About 5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60813356) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
PubChem CID60813356
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H16N4O3S/c1-2-15-5-3-4-11-16(13,14)7-6-10-12-8(7)9/h6,11H,2-5H2,1H3,(H3,9,10,12)
InChIKeyJRFFDDUSSUMBKM-UHFFFAOYSA-N
XLogP-0.30
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide
CID 107316396
2-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144389
5-amino-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 114174781
6-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144216
5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 28519081
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 64517232
5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 60810408
5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 104758545
methyl 4-amino-2-(3-ethoxypropylsulfamoyl)benzoate
CID 102930814
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide
CID 65102925

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide (CID 60813356) is 5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide is CCOCCCNS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JRFFDDUSSUMBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-2-15-5-3-4-11-16(13,14)7-6-10-12-8(7)9/h6,11H,2-5H2,1H3,(H3,9,10,12).
What are the key properties of 5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60813356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).