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

C7H14N4O2S — CID 82459997

IUPAC5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCNS(=O)(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C7H14N4O2S/c1-4-9-14(12,13)6-5(2)10-11(3)7(6)8/h9H,4,8H2,1-3H3
InChIKeyCYRFSPMJXXHROA-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.39
Rot. Bonds3

About 5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide

5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 82459997) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID82459997
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCNS(=O)(=O)c1c(C)nn(C)c1N
InChIInChI=1S/C7H14N4O2S/c1-4-9-14(12,13)6-5(2)10-11(3)7(6)8/h9H,4,8H2,1-3H3
InChIKeyCYRFSPMJXXHROA-UHFFFAOYSA-N
XLogP-0.39
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide (CID 82459997) is 5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide is CCNS(=O)(=O)c1c(C)nn(C)c1N.
What is the InChIKey of 5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is CYRFSPMJXXHROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-4-9-14(12,13)6-5(2)10-11(3)7(6)8/h9H,4,8H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide?
5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 82459997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).