carbamoyl pyrazole-1-sulfonate

C4H5N3O4S — CID 23055475

IUPACcarbamoyl pyrazole-1-sulfonate
SMILESNC(=O)OS(=O)(=O)n1cccn1
InChIInChI=1S/C4H5N3O4S/c5-4(8)11-12(9,10)7-3-1-2-6-7/h1-3H,(H2,5,8)
InChIKeySUDQEKZLEZIAMR-UHFFFAOYSA-N
MW191.17 g/mol
LogP-0.93
Rot. Bonds2

About carbamoyl pyrazole-1-sulfonate

carbamoyl pyrazole-1-sulfonate (PubChem CID 23055475) has the molecular formula C4H5N3O4S and a molecular weight of 191.17 g/mol. Its IUPAC name is carbamoyl pyrazole-1-sulfonate.

Molecular Properties

Compound Namecarbamoyl pyrazole-1-sulfonate
PubChem CID23055475
Molecular FormulaC4H5N3O4S
Molecular Weight191.17 g/mol
Exact Mass191.00
IUPAC Namecarbamoyl pyrazole-1-sulfonate
SMILESNC(=O)OS(=O)(=O)n1cccn1
InChIInChI=1S/C4H5N3O4S/c5-4(8)11-12(9,10)7-3-1-2-6-7/h1-3H,(H2,5,8)
InChIKeySUDQEKZLEZIAMR-UHFFFAOYSA-N
XLogP-0.93
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of carbamoyl pyrazole-1-sulfonate?
The IUPAC name of carbamoyl pyrazole-1-sulfonate (CID 23055475) is carbamoyl pyrazole-1-sulfonate.
What is the SMILES notation for carbamoyl pyrazole-1-sulfonate?
The canonical SMILES for carbamoyl pyrazole-1-sulfonate is NC(=O)OS(=O)(=O)n1cccn1.
What is the InChIKey of carbamoyl pyrazole-1-sulfonate?
The InChIKey is SUDQEKZLEZIAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O4S/c5-4(8)11-12(9,10)7-3-1-2-6-7/h1-3H,(H2,5,8).
What are the key properties of carbamoyl pyrazole-1-sulfonate?
carbamoyl pyrazole-1-sulfonate has a molecular weight of 191.17 g/mol, XLogP of -0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl pyrazole-1-sulfonate is sourced from PubChem (CID 23055475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).