1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide

C18H27N3O2S — CID 22772303

IUPAC1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cn(CC)nc1C)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H27N3O2S/c1-6-17(16-10-8-15(9-11-16)13(3)4)20-24(22,23)18-12-21(7-2)19-14(18)5/h8-13,17,20H,6-7H2,1-5H3
InChIKeyFOHSIKSKIBXBQW-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.76
Rot. Bonds7

About 1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide

1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide (PubChem CID 22772303) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide
PubChem CID22772303
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cn(CC)nc1C)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H27N3O2S/c1-6-17(16-10-8-15(9-11-16)13(3)4)20-24(22,23)18-12-21(7-2)19-14(18)5/h8-13,17,20H,6-7H2,1-5H3
InChIKeyFOHSIKSKIBXBQW-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-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-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 22209225
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
1-ethyl-3-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682091
N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774427
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774656
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-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681806
N-(2-bromo-4-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773985
1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide
CID 167880156

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide (CID 22772303) is 1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide is CCC(NS(=O)(=O)c1cn(CC)nc1C)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide?
The InChIKey is FOHSIKSKIBXBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-6-17(16-10-8-15(9-11-16)13(3)4)20-24(22,23)18-12-21(7-2)19-14(18)5/h8-13,17,20H,6-7H2,1-5H3.
What are the key properties of 1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide has a molecular weight of 349.50 g/mol, XLogP of 3.76, 7 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-[1-(4-propan-2-ylphenyl)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22772303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).