4-cyano-1-methylpyrazole-5-sulfonamide

C5H6N4O2S — CID 14049166

IUPAC4-cyano-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(C#N)c1S(N)(=O)=O
InChIInChI=1S/C5H6N4O2S/c1-9-5(12(7,10)11)4(2-6)3-8-9/h3H,1H3,(H2,7,10,11)
InChIKeyJGZOHDBQDBMFHM-UHFFFAOYSA-N
MW186.20 g/mol
LogP-1.06
Rot. Bonds1

About 4-cyano-1-methylpyrazole-5-sulfonamide

4-cyano-1-methylpyrazole-5-sulfonamide (PubChem CID 14049166) has the molecular formula C5H6N4O2S and a molecular weight of 186.20 g/mol. Its IUPAC name is 4-cyano-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-cyano-1-methylpyrazole-5-sulfonamide
PubChem CID14049166
Molecular FormulaC5H6N4O2S
Molecular Weight186.20 g/mol
Exact Mass186.02
IUPAC Name4-cyano-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(C#N)c1S(N)(=O)=O
InChIInChI=1S/C5H6N4O2S/c1-9-5(12(7,10)11)4(2-6)3-8-9/h3H,1H3,(H2,7,10,11)
InChIKeyJGZOHDBQDBMFHM-UHFFFAOYSA-N
XLogP-1.06
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-cyano-1-methylpyrazole-5-sulfonamide (CID 14049166) is 4-cyano-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-cyano-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-cyano-1-methylpyrazole-5-sulfonamide is Cn1ncc(C#N)c1S(N)(=O)=O.
What is the InChIKey of 4-cyano-1-methylpyrazole-5-sulfonamide?
The InChIKey is JGZOHDBQDBMFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2S/c1-9-5(12(7,10)11)4(2-6)3-8-9/h3H,1H3,(H2,7,10,11).
What are the key properties of 4-cyano-1-methylpyrazole-5-sulfonamide?
4-cyano-1-methylpyrazole-5-sulfonamide has a molecular weight of 186.20 g/mol, XLogP of -1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 14049166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).