5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide

C8H16N4O3S — CID 107316396

IUPAC5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCCCCO
InChIInChI=1S/C8H16N4O3S/c9-8-7(6-10-12-8)16(14,15)11-4-2-1-3-5-13/h6,11,13H,1-5H2,(H3,9,10,12)
InChIKeyJFGVTAPDBKKERV-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.57
Rot. Bonds7

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

5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide (PubChem CID 107316396) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide
PubChem CID107316396
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCCCCO
InChIInChI=1S/C8H16N4O3S/c9-8-7(6-10-12-8)16(14,15)11-4-2-1-3-5-13/h6,11,13H,1-5H2,(H3,9,10,12)
InChIKeyJFGVTAPDBKKERV-UHFFFAOYSA-N
XLogP-0.57
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
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-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
CID 60813356
5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 64517232
5-amino-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 114174781
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 107229545
2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809282
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
5-amino-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808924
5-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide
CID 115454062
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide
CID 65102925
5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 60810408
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide (CID 107316396) is 5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCCCCCO.
What is the InChIKey of 5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JFGVTAPDBKKERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c9-8-7(6-10-12-8)16(14,15)11-4-2-1-3-5-13/h6,11,13H,1-5H2,(H3,9,10,12).
What are the key properties of 5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.57, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107316396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).