3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide

C8H14N4O2S — CID 114615063

IUPAC3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H14N4O2S/c1-6(2)4-10-15(13,14)7-5-12(3)11-8(7)9/h5,10H,1,4H2,2-3H3,(H2,9,11)
InChIKeyVOBLHRAYGMCTKC-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.14
Rot. Bonds4

About 3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide

3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide (PubChem CID 114615063) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
PubChem CID114615063
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H14N4O2S/c1-6(2)4-10-15(13,14)7-5-12(3)11-8(7)9/h5,10H,1,4H2,2-3H3,(H2,9,11)
InChIKeyVOBLHRAYGMCTKC-UHFFFAOYSA-N
XLogP-0.14
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide
CID 115355880
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide
CID 114615039
3-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1-methylpyrazole-4-sulfonamide
CID 107150658
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115454064
3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide
CID 102694355
3-amino-N-hex-5-ynyl-1-methylpyrazole-4-sulfonamide
CID 106208401
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60813866
3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 61113632
3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide (CID 114615063) is 3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide is C=C(C)CNS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide?
The InChIKey is VOBLHRAYGMCTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-6(2)4-10-15(13,14)7-5-12(3)11-8(7)9/h5,10H,1,4H2,2-3H3,(H2,9,11).
What are the key properties of 3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide?
3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.14, 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-methylprop-2-enyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 114615063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).