1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide

C11H21N3O4S — CID 81067928

IUPAC1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1cnn(CCO)c1
InChIInChI=1S/C11H21N3O4S/c1-10(2)18-7-5-13(3)19(16,17)11-8-12-14(9-11)4-6-15/h8-10,15H,4-7H2,1-3H3
InChIKeyCOFRAGKGFCNHHS-UHFFFAOYSA-N
MW291.37 g/mol
LogP-0.08
Rot. Bonds8

About 1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide

1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide (PubChem CID 81067928) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
PubChem CID81067928
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1cnn(CCO)c1
InChIInChI=1S/C11H21N3O4S/c1-10(2)18-7-5-13(3)19(16,17)11-8-12-14(9-11)4-6-15/h8-10,15H,4-7H2,1-3H3
InChIKeyCOFRAGKGFCNHHS-UHFFFAOYSA-N
XLogP-0.08
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 81064534
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286
4-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791714
1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 112667312
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 103192242
N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79864992
N-(1-cyclopropylethyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114133664
3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81068355
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484
2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 61039541
2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 114265136

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide (CID 81067928) is 1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide is CC(C)OCCN(C)S(=O)(=O)c1cnn(CCO)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide?
The InChIKey is COFRAGKGFCNHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-10(2)18-7-5-13(3)19(16,17)11-8-12-14(9-11)4-6-15/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide?
1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide has a molecular weight of 291.37 g/mol, XLogP of -0.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 81067928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).