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

C7H13N3O2S — CID 19684369

IUPAC1-ethyl-N,N-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C7H13N3O2S/c1-4-10-6-7(5-8-10)13(11,12)9(2)3/h5-6H,4H2,1-3H3
InChIKeyVNJLFBASRYLLRS-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.15
Rot. Bonds3

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

1-ethyl-N,N-dimethylpyrazole-4-sulfonamide (PubChem CID 19684369) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-ethyl-N,N-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N,N-dimethylpyrazole-4-sulfonamide
PubChem CID19684369
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-ethyl-N,N-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C7H13N3O2S/c1-4-10-6-7(5-8-10)13(11,12)9(2)3/h5-6H,4H2,1-3H3
InChIKeyVNJLFBASRYLLRS-UHFFFAOYSA-N
XLogP0.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N,N-dimethylpyrazole-4-sulfonamide (CID 19684369) is 1-ethyl-N,N-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N,N-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N,N-dimethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 1-ethyl-N,N-dimethylpyrazole-4-sulfonamide?
The InChIKey is VNJLFBASRYLLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-4-10-6-7(5-8-10)13(11,12)9(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethyl-N,N-dimethylpyrazole-4-sulfonamide?
1-ethyl-N,N-dimethylpyrazole-4-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19684369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).