N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide

C13H25N3O3S — CID 79470196

IUPACN-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cnn(CCCO)c1
InChIInChI=1S/C13H25N3O3S/c1-4-12(3)10-16(5-2)20(18,19)13-9-14-15(11-13)7-6-8-17/h9,11-12,17H,4-8,10H2,1-3H3
InChIKeyQDBOARPVSMHSFO-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.32
Rot. Bonds9

About N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide

N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide (PubChem CID 79470196) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide
PubChem CID79470196
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cnn(CCCO)c1
InChIInChI=1S/C13H25N3O3S/c1-4-12(3)10-16(5-2)20(18,19)13-9-14-15(11-13)7-6-8-17/h9,11-12,17H,4-8,10H2,1-3H3
InChIKeyQDBOARPVSMHSFO-UHFFFAOYSA-N
XLogP1.32
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 103192242
3-[4-[butyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513598
N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 102998589
2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950901
N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide
CID 79471794
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
3-[4-[2-cyanoethyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 60950772
N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 106002543
4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791690
N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 79481405
1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide
CID 79472119
1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 79482168

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide (CID 79470196) is N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide is CCC(C)CN(CC)S(=O)(=O)c1cnn(CCCO)c1.
What is the InChIKey of N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide?
The InChIKey is QDBOARPVSMHSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-4-12(3)10-16(5-2)20(18,19)13-9-14-15(11-13)7-6-8-17/h9,11-12,17H,4-8,10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide?
N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 79470196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).