2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine

C8H13N5O3S — CID 167856354

IUPAC2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1cnn(C2CCOC2)c1
InChIInChI=1S/C8H13N5O3S/c9-8(10)12-17(14,15)7-3-11-13(4-7)6-1-2-16-5-6/h3-4,6H,1-2,5H2,(H4,9,10,12)
InChIKeyXQCVKGOULYWJRT-UHFFFAOYSA-N
MW259.29 g/mol
LogP-1.19
Rot. Bonds3

About 2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine

2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine (PubChem CID 167856354) has the molecular formula C8H13N5O3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine.

Molecular Properties

Compound Name2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine
PubChem CID167856354
Molecular FormulaC8H13N5O3S
Molecular Weight259.29 g/mol
Exact Mass259.07
IUPAC Name2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1cnn(C2CCOC2)c1
InChIInChI=1S/C8H13N5O3S/c9-8(10)12-17(14,15)7-3-11-13(4-7)6-1-2-16-5-6/h3-4,6H,1-2,5H2,(H4,9,10,12)
InChIKeyXQCVKGOULYWJRT-UHFFFAOYSA-N
XLogP-1.19
TPSA125.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride
CID 154832131
4-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]benzoic acid
CID 154743695
3,3-dimethyl-1-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-amine
CID 120778866
2-cyclobutyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylamino]propanoic acid
CID 167795752
1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde
CID 129369752
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
N-[2-amino-2-(4-methylphenyl)ethyl]-1-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 167788723
5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 67224091
2,2-dimethyl-1-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonyl-3H-indole
CID 167784849
4-ethynyl-1-(oxolan-3-yl)pyrazole
CID 122240699
4-ethyl-1-(oxolan-3-yl)pyrazole
CID 84731626
N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 127639508

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine?
The IUPAC name of 2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine (CID 167856354) is 2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine.
What is the SMILES notation for 2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine?
The canonical SMILES for 2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine is NC(N)=NS(=O)(=O)c1cnn(C2CCOC2)c1.
What is the InChIKey of 2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine?
The InChIKey is XQCVKGOULYWJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3S/c9-8(10)12-17(14,15)7-3-11-13(4-7)6-1-2-16-5-6/h3-4,6H,1-2,5H2,(H4,9,10,12).
What are the key properties of 2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine?
2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine has a molecular weight of 259.29 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylguanidine is sourced from PubChem (CID 167856354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).