pyrazol-1-ylsulfonylurea

C4H6N4O3S — CID 22167577

IUPACpyrazol-1-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)n1cccn1
InChIInChI=1S/C4H6N4O3S/c5-4(9)7-12(10,11)8-3-1-2-6-8/h1-3H,(H3,5,7,9)
InChIKeyFEQBZUBFNBIVNV-UHFFFAOYSA-N
MW190.18 g/mol
LogP-1.36
Rot. Bonds2

About pyrazol-1-ylsulfonylurea

pyrazol-1-ylsulfonylurea (PubChem CID 22167577) has the molecular formula C4H6N4O3S and a molecular weight of 190.18 g/mol. Its IUPAC name is pyrazol-1-ylsulfonylurea.

Molecular Properties

Compound Namepyrazol-1-ylsulfonylurea
PubChem CID22167577
Molecular FormulaC4H6N4O3S
Molecular Weight190.18 g/mol
Exact Mass190.02
IUPAC Namepyrazol-1-ylsulfonylurea
SMILESNC(=O)NS(=O)(=O)n1cccn1
InChIInChI=1S/C4H6N4O3S/c5-4(9)7-12(10,11)8-3-1-2-6-8/h1-3H,(H3,5,7,9)
InChIKeyFEQBZUBFNBIVNV-UHFFFAOYSA-N
XLogP-1.36
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazol-1-ylsulfonylurea?
The IUPAC name of pyrazol-1-ylsulfonylurea (CID 22167577) is pyrazol-1-ylsulfonylurea.
What is the SMILES notation for pyrazol-1-ylsulfonylurea?
The canonical SMILES for pyrazol-1-ylsulfonylurea is NC(=O)NS(=O)(=O)n1cccn1.
What is the InChIKey of pyrazol-1-ylsulfonylurea?
The InChIKey is FEQBZUBFNBIVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O3S/c5-4(9)7-12(10,11)8-3-1-2-6-8/h1-3H,(H3,5,7,9).
What are the key properties of pyrazol-1-ylsulfonylurea?
pyrazol-1-ylsulfonylurea has a molecular weight of 190.18 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-ylsulfonylurea is sourced from PubChem (CID 22167577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).