1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide

C13H17N3O3S — CID 22774028

IUPAC1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C13H17N3O3S/c1-4-16-9-13(10(2)14-16)20(17,18)15-11-5-7-12(19-3)8-6-11/h5-9,15H,4H2,1-3H3
InChIKeyZBFUXCUSUYOPCN-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.02
Rot. Bonds5

About 1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide

1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide (PubChem CID 22774028) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
PubChem CID22774028
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C13H17N3O3S/c1-4-16-9-13(10(2)14-16)20(17,18)15-11-5-7-12(19-3)8-6-11/h5-9,15H,4H2,1-3H3
InChIKeyZBFUXCUSUYOPCN-UHFFFAOYSA-N
XLogP2.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19683756
N-(3,4-difluorophenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773467
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683690
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641
1-ethyl-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 22773189
1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide
CID 167880156
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 22773737
ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 19683978
N-(2-butan-2-ylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774427

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide (CID 22774028) is 1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(C)n1.
What is the InChIKey of 1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide?
The InChIKey is ZBFUXCUSUYOPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-4-16-9-13(10(2)14-16)20(17,18)15-11-5-7-12(19-3)8-6-11/h5-9,15H,4H2,1-3H3.
What are the key properties of 1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide?
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 22774028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).