5-fluoro-4-nitroso-1H-pyrazole

C3H2FN3O — CID 176791244

IUPAC5-fluoro-4-nitroso-1H-pyrazole
SMILESO=Nc1cn[nH]c1F
InChIInChI=1S/C3H2FN3O/c4-3-2(7-8)1-5-6-3/h1H,(H,5,6)
InChIKeyQESVUNGHNPRNNJ-UHFFFAOYSA-N
MW115.07 g/mol
LogP0.95
Rot. Bonds1

About 5-fluoro-4-nitroso-1H-pyrazole

5-fluoro-4-nitroso-1H-pyrazole (PubChem CID 176791244) has the molecular formula C3H2FN3O and a molecular weight of 115.07 g/mol. Its IUPAC name is 5-fluoro-4-nitroso-1H-pyrazole.

Molecular Properties

Compound Name5-fluoro-4-nitroso-1H-pyrazole
PubChem CID176791244
Molecular FormulaC3H2FN3O
Molecular Weight115.07 g/mol
Exact Mass115.02
IUPAC Name5-fluoro-4-nitroso-1H-pyrazole
SMILESO=Nc1cn[nH]c1F
InChIInChI=1S/C3H2FN3O/c4-3-2(7-8)1-5-6-3/h1H,(H,5,6)
InChIKeyQESVUNGHNPRNNJ-UHFFFAOYSA-N
XLogP0.95
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.07
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-nitroso-1H-pyrazole?
The IUPAC name of 5-fluoro-4-nitroso-1H-pyrazole (CID 176791244) is 5-fluoro-4-nitroso-1H-pyrazole.
What is the SMILES notation for 5-fluoro-4-nitroso-1H-pyrazole?
The canonical SMILES for 5-fluoro-4-nitroso-1H-pyrazole is O=Nc1cn[nH]c1F.
What is the InChIKey of 5-fluoro-4-nitroso-1H-pyrazole?
The InChIKey is QESVUNGHNPRNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2FN3O/c4-3-2(7-8)1-5-6-3/h1H,(H,5,6).
What are the key properties of 5-fluoro-4-nitroso-1H-pyrazole?
5-fluoro-4-nitroso-1H-pyrazole has a molecular weight of 115.07 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-nitroso-1H-pyrazole is sourced from PubChem (CID 176791244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).