N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide

C9H15N3O3S — CID 115754586

IUPACN-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H15N3O3S/c1-3-4-12(5-6-13)16(14,15)9-7-10-11(2)8-9/h3,7-8,13H,1,4-6H2,2H3
InChIKeyCOMRLZMSYYPWGN-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.41
Rot. Bonds6

About N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide

N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide (PubChem CID 115754586) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide
PubChem CID115754586
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCN(CCO)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H15N3O3S/c1-3-4-12(5-6-13)16(14,15)9-7-10-11(2)8-9/h3,7-8,13H,1,4-6H2,2H3
InChIKeyCOMRLZMSYYPWGN-UHFFFAOYSA-N
XLogP-0.41
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 6470787
1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
1-(2-methoxyethyl)-1H-pyrazole-4-sulfonyl chloride
CID 60912505
4-(1-Ethylpyrazol-4-yl)sulfonylmorpholine
CID 6466654
1-ethyl-N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 19684369
N-methoxy-N,1-dimethylpyrazole-4-sulfonamide
CID 45822299
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 132378596
1-(3-fluoropropyl)-N,N-dimethylpyrazole-4-sulfonamide
CID 132383272
4-Fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide
CID 146570537
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570976
4-Fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
CID 146570977
1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride
CID 155193539

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide (CID 115754586) is N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide is C=CCN(CCO)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide?
The InChIKey is COMRLZMSYYPWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-3-4-12(5-6-13)16(14,15)9-7-10-11(2)8-9/h3,7-8,13H,1,4-6H2,2H3.
What are the key properties of N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide?
N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methyl-N-prop-2-enylpyrazole-4-sulfonamide is sourced from PubChem (CID 115754586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).