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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 80676344
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 55210793
N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide
CID 166121417
N-(2-chloroethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 107493068
3-chloro-N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754667
2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 43361158
3-[4-[propan-2-yl(prop-2-enyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 60952039
4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361582
2-[cyclopentyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 60829977
4-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 111117899
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide
CID 106505409

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).