4-[3-(sulfinatoamino)phenyl]-1H-pyrazole

C9H8N3O2S- — CID 167366018

IUPAC4-[3-(sulfinatoamino)phenyl]-1H-pyrazole
SMILESO=S([O-])Nc1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C9H9N3O2S/c13-15(14)12-9-3-1-2-7(4-9)8-5-10-11-6-8/h1-6,12H,(H,10,11)(H,13,14)/p-1
InChIKeyFWFNCHVMAHMGEJ-UHFFFAOYSA-M
MW222.25 g/mol
LogP1.28
Rot. Bonds3

About 4-[3-(sulfinatoamino)phenyl]-1H-pyrazole

4-[3-(sulfinatoamino)phenyl]-1H-pyrazole (PubChem CID 167366018) has the molecular formula C9H8N3O2S- and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[3-(sulfinatoamino)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[3-(sulfinatoamino)phenyl]-1H-pyrazole
PubChem CID167366018
Molecular FormulaC9H8N3O2S-
Molecular Weight222.25 g/mol
Exact Mass222.03
IUPAC Name4-[3-(sulfinatoamino)phenyl]-1H-pyrazole
SMILESO=S([O-])Nc1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C9H9N3O2S/c13-15(14)12-9-3-1-2-7(4-9)8-5-10-11-6-8/h1-6,12H,(H,10,11)(H,13,14)/p-1
InChIKeyFWFNCHVMAHMGEJ-UHFFFAOYSA-M
XLogP1.28
TPSA80.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(sulfinatoamino)phenyl]-1H-pyrazole?
The IUPAC name of 4-[3-(sulfinatoamino)phenyl]-1H-pyrazole (CID 167366018) is 4-[3-(sulfinatoamino)phenyl]-1H-pyrazole.
What is the SMILES notation for 4-[3-(sulfinatoamino)phenyl]-1H-pyrazole?
The canonical SMILES for 4-[3-(sulfinatoamino)phenyl]-1H-pyrazole is O=S([O-])Nc1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of 4-[3-(sulfinatoamino)phenyl]-1H-pyrazole?
The InChIKey is FWFNCHVMAHMGEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9N3O2S/c13-15(14)12-9-3-1-2-7(4-9)8-5-10-11-6-8/h1-6,12H,(H,10,11)(H,13,14)/p-1.
What are the key properties of 4-[3-(sulfinatoamino)phenyl]-1H-pyrazole?
4-[3-(sulfinatoamino)phenyl]-1H-pyrazole has a molecular weight of 222.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(sulfinatoamino)phenyl]-1H-pyrazole is sourced from PubChem (CID 167366018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).