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

C8H13N3O2S — CID 114616511

IUPAC1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C8H13N3O2S/c1-7(2)4-10-14(12,13)8-5-9-11(3)6-8/h5-6,10H,1,4H2,2-3H3
InChIKeyJJBRGDSBJNHKBF-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.27
Rot. Bonds4

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

1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide (PubChem CID 114616511) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
PubChem CID114616511
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C8H13N3O2S/c1-7(2)4-10-14(12,13)8-5-9-11(3)6-8/h5-6,10H,1,4H2,2-3H3
InChIKeyJJBRGDSBJNHKBF-UHFFFAOYSA-N
XLogP0.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-1-ethylpyrazole-4-sulfonamide
CID 6466244
1-Ethyl-4-pyrrolidin-1-ylsulfonylpyrazole
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1-Methyl-1H-pyrazole-4-sulfonamide
CID 13342789
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-4-sulfonamide
CID 29090600
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
1-cyclopentyl-1H-pyrazole-4-sulfonamide
CID 61394785
1-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 6485337
1-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024730
1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
1-Propyl-1H-pyrazole-4-sulfonyl chloride
CID 19576718
1-methyl-1H-pyrazole-4-sulfonohydrazide
CID 19616386
(1-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 50988991

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide (CID 114616511) is 1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide is C=C(C)CNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide?
The InChIKey is JJBRGDSBJNHKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-7(2)4-10-14(12,13)8-5-9-11(3)6-8/h5-6,10H,1,4H2,2-3H3.
What are the key properties of 1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide?
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 114616511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).