1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide

C9H15N3O2S — CID 19681806

IUPAC1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCNS(=O)(=O)c1cn(CC)nc1C
InChIInChI=1S/C9H15N3O2S/c1-4-6-10-15(13,14)9-7-12(5-2)11-8(9)3/h4,7,10H,1,5-6H2,2-3H3
InChIKeyFABYIVDFUQESCG-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.68
Rot. Bonds5

About 1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide

1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide (PubChem CID 19681806) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide
PubChem CID19681806
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCNS(=O)(=O)c1cn(CC)nc1C
InChIInChI=1S/C9H15N3O2S/c1-4-6-10-15(13,14)9-7-12(5-2)11-8(9)3/h4,7,10H,1,5-6H2,2-3H3
InChIKeyFABYIVDFUQESCG-UHFFFAOYSA-N
XLogP0.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.68
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

1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide
CID 22209538
1-ethyl-3-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682091
N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22206025
ethane;1-ethyl-3-methyl-4-methylsulfonylpyrazole
CID 177232884
1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 22773737
1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide
CID 95226625
N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19581844
1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide
CID 167880156
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide (CID 19681806) is 1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide is C=CCNS(=O)(=O)c1cn(CC)nc1C.
What is the InChIKey of 1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide?
The InChIKey is FABYIVDFUQESCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-4-6-10-15(13,14)9-7-12(5-2)11-8(9)3/h4,7,10H,1,5-6H2,2-3H3.
What are the key properties of 1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).