5-fluoro-4-nitroso-1H-pyrazol-2-ium

C3H3FN3O+ — CID 176791243

IUPAC5-fluoro-4-nitroso-1H-pyrazol-2-ium
SMILESO=Nc1c[nH+][nH]c1F
InChIInChI=1S/C3H2FN3O/c4-3-2(7-8)1-5-6-3/h1H,(H,5,6)/p+1
InChIKeyQESVUNGHNPRNNJ-UHFFFAOYSA-O
MW116.07 g/mol
LogP0.37
Rot. Bonds1

About 5-fluoro-4-nitroso-1H-pyrazol-2-ium

5-fluoro-4-nitroso-1H-pyrazol-2-ium (PubChem CID 176791243) has the molecular formula C3H3FN3O+ and a molecular weight of 116.07 g/mol. Its IUPAC name is 5-fluoro-4-nitroso-1H-pyrazol-2-ium.

Molecular Properties

Compound Name5-fluoro-4-nitroso-1H-pyrazol-2-ium
PubChem CID176791243
Molecular FormulaC3H3FN3O+
Molecular Weight116.07 g/mol
Exact Mass116.03
IUPAC Name5-fluoro-4-nitroso-1H-pyrazol-2-ium
SMILESO=Nc1c[nH+][nH]c1F
InChIInChI=1S/C3H2FN3O/c4-3-2(7-8)1-5-6-3/h1H,(H,5,6)/p+1
InChIKeyQESVUNGHNPRNNJ-UHFFFAOYSA-O
XLogP0.37
TPSA59.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.07
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-nitro-1H-pyrazole
CID 16376
3-fluoro-1H-pyrazol-4-amine
CID 45116615
3-fluoro-4-nitro-1H-pyrazole
CID 138112739
4-Nitrosopyrazole
CID 20481516
3-Iodo-4-nitro-1H-pyrazole
CID 57506960
5-fluoro-1H-pyrazol-2-ium-4-amine
CID 169172728
5-fluoro-4-nitroso-1H-pyrazole
CID 176791244
4-nitroso-1H-pyrazol-2-ium
CID 136124489
5-chloro-4-nitroso-1H-pyrazole
CID 138644966
ethane;4-nitro-1H-pyrazole
CID 144211622
4-nitro-1H-pyrazole;hydrochloride
CID 153322184
methane;4-nitro-1H-pyrazole
CID 159639417

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-nitroso-1H-pyrazol-2-ium?
The IUPAC name of 5-fluoro-4-nitroso-1H-pyrazol-2-ium (CID 176791243) is 5-fluoro-4-nitroso-1H-pyrazol-2-ium.
What is the SMILES notation for 5-fluoro-4-nitroso-1H-pyrazol-2-ium?
The canonical SMILES for 5-fluoro-4-nitroso-1H-pyrazol-2-ium is O=Nc1c[nH+][nH]c1F.
What is the InChIKey of 5-fluoro-4-nitroso-1H-pyrazol-2-ium?
The InChIKey is QESVUNGHNPRNNJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H2FN3O/c4-3-2(7-8)1-5-6-3/h1H,(H,5,6)/p+1.
What are the key properties of 5-fluoro-4-nitroso-1H-pyrazol-2-ium?
5-fluoro-4-nitroso-1H-pyrazol-2-ium has a molecular weight of 116.07 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-nitroso-1H-pyrazol-2-ium is sourced from PubChem (CID 176791243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).