5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide

C9H18N4O3S — CID 65102925

IUPAC5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H18N4O3S/c1-3-9(14,4-2)6-12-17(15,16)7-5-11-13-8(7)10/h5,12,14H,3-4,6H2,1-2H3,(H3,10,11,13)
InChIKeyRRKXDXIVDHGNLV-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.18
Rot. Bonds6

About 5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide (PubChem CID 65102925) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide
PubChem CID65102925
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC Name5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H18N4O3S/c1-3-9(14,4-2)6-12-17(15,16)7-5-11-13-8(7)10/h5,12,14H,3-4,6H2,1-2H3,(H3,10,11,13)
InChIKeyRRKXDXIVDHGNLV-UHFFFAOYSA-N
XLogP-0.18
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79552513
5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 104758545
5-amino-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106327836
N-(2-amino-2-ethylbutyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119999938
2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 65103391
2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809282
5-amino-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 114174781
5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide
CID 107316396
5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
CID 60813356
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-2-methylpropanamide
CID 61211264

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide (CID 65102925) is 5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide is CCC(O)(CC)CNS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is RRKXDXIVDHGNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-3-9(14,4-2)6-12-17(15,16)7-5-11-13-8(7)10/h5,12,14H,3-4,6H2,1-2H3,(H3,10,11,13).
What are the key properties of 5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65102925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).