3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide

C9H18N4O3S — CID 106840218

IUPAC3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCCCO)c(N)n1
InChIInChI=1S/C9H18N4O3S/c1-2-13-7-8(9(10)12-13)17(15,16)11-5-3-4-6-14/h7,11,14H,2-6H2,1H3,(H2,10,12)
InChIKeyYLIBOMRNXQBWGU-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.46
Rot. Bonds7

About 3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide (PubChem CID 106840218) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
PubChem CID106840218
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC Name3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCCCO)c(N)n1
InChIInChI=1S/C9H18N4O3S/c1-2-13-7-8(9(10)12-13)17(15,16)11-5-3-4-6-14/h7,11,14H,2-6H2,1H3,(H2,10,12)
InChIKeyYLIBOMRNXQBWGU-UHFFFAOYSA-N
XLogP-0.46
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
CID 107843719
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368
3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809082
3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
CID 79551640
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115515192
3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 61240299
3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274993

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide (CID 106840218) is 3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCCCO)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide?
The InChIKey is YLIBOMRNXQBWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-2-13-7-8(9(10)12-13)17(15,16)11-5-3-4-6-14/h7,11,14H,2-6H2,1H3,(H2,10,12).
What are the key properties of 3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106840218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).