1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide

C14H19N3O2S — CID 19680850

IUPAC1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cnn(C)c2C)cc1
InChIInChI=1S/C14H19N3O2S/c1-10-5-7-13(8-6-10)11(2)16-20(18,19)14-9-15-17(4)12(14)3/h5-9,11,16H,1-4H3
InChIKeyNMDODOQLGDVQHC-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.08
Rot. Bonds4

About 1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide

1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 19680850) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide
PubChem CID19680850
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cnn(C)c2C)cc1
InChIInChI=1S/C14H19N3O2S/c1-10-5-7-13(8-6-10)11(2)16-20(18,19)14-9-15-17(4)12(14)3/h5-9,11,16H,1-4H3
InChIKeyNMDODOQLGDVQHC-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 101377414
3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61125345
N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide
CID 81357180
N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135004649
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106833768
N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 95756264
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8814747
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 22208904
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide (CID 19680850) is 1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cnn(C)c2C)cc1.
What is the InChIKey of 1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is NMDODOQLGDVQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-5-7-13(8-6-10)11(2)16-20(18,19)14-9-15-17(4)12(14)3/h5-9,11,16H,1-4H3.
What are the key properties of 1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide?
1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19680850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).