3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide

C10H16N4O2S — CID 63999689

IUPAC3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
SMILESC#CC(C)(C)NS(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C10H16N4O2S/c1-5-10(3,4)13-17(15,16)8-7-14(6-2)12-9(8)11/h1,7,13H,6H2,2-4H3,(H2,11,12)
InChIKeyZWMPWQIRVLPHQX-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.18
Rot. Bonds4

About 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide (PubChem CID 63999689) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
PubChem CID63999689
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
SMILESC#CC(C)(C)NS(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C10H16N4O2S/c1-5-10(3,4)13-17(15,16)8-7-14(6-2)12-9(8)11/h1,7,13H,6H2,2-4H3,(H2,11,12)
InChIKeyZWMPWQIRVLPHQX-UHFFFAOYSA-N
XLogP0.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
CID 107843719
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-1-ethyl-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 83012354
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
CID 79551640
1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea
CID 116646497
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide
CID 114386852
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368
3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 60808760
3-amino-1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
CID 60815181
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide (CID 63999689) is 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide is C#CC(C)(C)NS(=O)(=O)c1cn(CC)nc1N.
What is the InChIKey of 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide?
The InChIKey is ZWMPWQIRVLPHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-5-10(3,4)13-17(15,16)8-7-14(6-2)12-9(8)11/h1,7,13H,6H2,2-4H3,(H2,11,12).
What are the key properties of 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 63999689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).