1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide

C13H17N3O2S — CID 22773641

IUPAC1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccc(C)c2)c(C)n1
InChIInChI=1S/C13H17N3O2S/c1-4-16-9-13(11(3)14-16)19(17,18)15-12-7-5-6-10(2)8-12/h5-9,15H,4H2,1-3H3
InChIKeyVCPRFFIZNZGAOK-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.32
Rot. Bonds4

About 1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide

1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide (PubChem CID 22773641) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
PubChem CID22773641
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccc(C)c2)c(C)n1
InChIInChI=1S/C13H17N3O2S/c1-4-16-9-13(11(3)14-16)19(17,18)15-12-7-5-6-10(2)8-12/h5-9,15H,4H2,1-3H3
InChIKeyVCPRFFIZNZGAOK-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 19683978
N-(3,4-difluorophenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773467
N-(2-bromo-4-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773985
1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 22773737
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774656
1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19683756
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide
CID 167880156
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide (CID 22773641) is 1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cccc(C)c2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
The InChIKey is VCPRFFIZNZGAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-16-9-13(11(3)14-16)19(17,18)15-12-7-5-6-10(2)8-12/h5-9,15H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.32, 4 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-(3-methylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22773641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).