3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide

C13H25N3O3S — CID 42283498

IUPAC3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C13H25N3O3S/c1-10(2)16(7-8-17)20(18,19)11-9-15(6)14-12(11)13(3,4)5/h9-10,17H,7-8H2,1-6H3
InChIKeySMHXTNCEGRHDMR-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.11
Rot. Bonds5

About 3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide

3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42283498) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42283498
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C13H25N3O3S/c1-10(2)16(7-8-17)20(18,19)11-9-15(6)14-12(11)13(3,4)5/h9-10,17H,7-8H2,1-6H3
InChIKeySMHXTNCEGRHDMR-UHFFFAOYSA-N
XLogP1.11
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-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

3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 61126800
3-tert-butyl-1-methyl-N,N-dipropylpyrazole-4-sulfonamide
CID 42283422
N-(2-hydroxyethyl)-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283213
N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide
CID 43574724
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide
CID 61053391
1-(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylazepane
CID 42283445
N-(2-hydroxyethyl)-N,1-di(propan-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350211
3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 42283584
3-amino-1-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrazole-4-sulfonamide
CID 61126801
1-benzyl-N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351426
2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 43574662
2-bromo-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 43574659

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide (CID 42283498) is 3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide is CC(C)N(CCO)S(=O)(=O)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is SMHXTNCEGRHDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-10(2)16(7-8-17)20(18,19)11-9-15(6)14-12(11)13(3,4)5/h9-10,17H,7-8H2,1-6H3.
What are the key properties of 3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide?
3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).