3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide

C9H18N4O2S — CID 60813866

IUPAC3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H18N4O2S/c1-5-9(2,3)12-16(14,15)7-6-13(4)11-8(7)10/h6,12H,5H2,1-4H3,(H2,10,11)
InChIKeyGLQGYCJYKPOCFG-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.47
Rot. Bonds4

About 3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide

3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide (PubChem CID 60813866) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
PubChem CID60813866
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H18N4O2S/c1-5-9(2,3)12-16(14,15)7-6-13(4)11-8(7)10/h6,12H,5H2,1-4H3,(H2,10,11)
InChIKeyGLQGYCJYKPOCFG-UHFFFAOYSA-N
XLogP0.47
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1-methylpyrazole-4-sulfonamide
CID 62524294
1-ethyl-3-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682091
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 107213382
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60810421
1-methyl-N-(2-methylbutan-2-yl)imidazole-4-sulfonamide
CID 46345219
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114615063
3-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1-methylpyrazole-4-sulfonamide
CID 107150658
2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide
CID 115355880
3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 61113632

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide (CID 60813866) is 3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide is CCC(C)(C)NS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is GLQGYCJYKPOCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-5-9(2,3)12-16(14,15)7-6-13(4)11-8(7)10/h6,12H,5H2,1-4H3,(H2,10,11).
What are the key properties of 3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide?
3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60813866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).