1-ethyl-N,3-dimethylpyrazole-4-sulfonamide

C7H13N3O2S — CID 19684304

IUPAC1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC)c(C)n1
InChIInChI=1S/C7H13N3O2S/c1-4-10-5-7(6(2)9-10)13(11,12)8-3/h5,8H,4H2,1-3H3
InChIKeyIRDGSEYLPOLNMI-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.12
Rot. Bonds3

About 1-ethyl-N,3-dimethylpyrazole-4-sulfonamide

1-ethyl-N,3-dimethylpyrazole-4-sulfonamide (PubChem CID 19684304) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-ethyl-N,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
PubChem CID19684304
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC)c(C)n1
InChIInChI=1S/C7H13N3O2S/c1-4-10-5-7(6(2)9-10)13(11,12)8-3/h5,8H,4H2,1-3H3
InChIKeyIRDGSEYLPOLNMI-UHFFFAOYSA-N
XLogP0.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682091
N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
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-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19581844
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide
CID 22209538
1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide
CID 167880156
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
N-(1-adamantyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681563

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N,3-dimethylpyrazole-4-sulfonamide (CID 19684304) is 1-ethyl-N,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N,3-dimethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC)c(C)n1.
What is the InChIKey of 1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is IRDGSEYLPOLNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-4-10-5-7(6(2)9-10)13(11,12)8-3/h5,8H,4H2,1-3H3.
What are the key properties of 1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19684304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).