5,5-dimethylpyrazole-3-sulfonamide

C5H9N3O2S — CID 174300775

IUPAC5,5-dimethylpyrazole-3-sulfonamide
SMILESCC1(C)C=C(S(N)(=O)=O)N=N1
InChIInChI=1S/C5H9N3O2S/c1-5(2)3-4(7-8-5)11(6,9)10/h3H,1-2H3,(H2,6,9,10)
InChIKeyASGUASYMKBBDDR-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.36
Rot. Bonds1

About 5,5-dimethylpyrazole-3-sulfonamide

5,5-dimethylpyrazole-3-sulfonamide (PubChem CID 174300775) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 5,5-dimethylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name5,5-dimethylpyrazole-3-sulfonamide
PubChem CID174300775
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name5,5-dimethylpyrazole-3-sulfonamide
SMILESCC1(C)C=C(S(N)(=O)=O)N=N1
InChIInChI=1S/C5H9N3O2S/c1-5(2)3-4(7-8-5)11(6,9)10/h3H,1-2H3,(H2,6,9,10)
InChIKeyASGUASYMKBBDDR-UHFFFAOYSA-N
XLogP0.36
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylpyrazole-3-sulfonamide?
The IUPAC name of 5,5-dimethylpyrazole-3-sulfonamide (CID 174300775) is 5,5-dimethylpyrazole-3-sulfonamide.
What is the SMILES notation for 5,5-dimethylpyrazole-3-sulfonamide?
The canonical SMILES for 5,5-dimethylpyrazole-3-sulfonamide is CC1(C)C=C(S(N)(=O)=O)N=N1.
What is the InChIKey of 5,5-dimethylpyrazole-3-sulfonamide?
The InChIKey is ASGUASYMKBBDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-5(2)3-4(7-8-5)11(6,9)10/h3H,1-2H3,(H2,6,9,10).
What are the key properties of 5,5-dimethylpyrazole-3-sulfonamide?
5,5-dimethylpyrazole-3-sulfonamide has a molecular weight of 175.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylpyrazole-3-sulfonamide is sourced from PubChem (CID 174300775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).