5-fluoro-4-nitro-1H-pyrazole

C3H2FN3O2 — CID 138112739

IUPAC5-fluoro-4-nitro-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1F
InChIInChI=1S/C3H2FN3O2/c4-3-2(7(8)9)1-5-6-3/h1H,(H,5,6)
InChIKeyUPBOENTXFGZFGA-UHFFFAOYSA-N
MW131.07 g/mol
LogP0.46
Rot. Bonds1

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

5-fluoro-4-nitro-1H-pyrazole (PubChem CID 138112739) has the molecular formula C3H2FN3O2 and a molecular weight of 131.07 g/mol. Its IUPAC name is 5-fluoro-4-nitro-1H-pyrazole.

Molecular Properties

Compound Name5-fluoro-4-nitro-1H-pyrazole
PubChem CID138112739
Molecular FormulaC3H2FN3O2
Molecular Weight131.07 g/mol
Exact Mass131.01
IUPAC Name5-fluoro-4-nitro-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1F
InChIInChI=1S/C3H2FN3O2/c4-3-2(7(8)9)1-5-6-3/h1H,(H,5,6)
InChIKeyUPBOENTXFGZFGA-UHFFFAOYSA-N
XLogP0.46
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.07
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-1H-pyrazole
CID 16376
3,4-dinitro-1H-pyrazole
CID 3620736
3-Chloro-4-nitro-1H-pyrazole
CID 18769507
4-nitro-5-(trifluoromethyl)-1H-pyrazole
CID 7147390
3-bromo-4-nitro-1H-pyrazole
CID 57336618
4-nitro-1H-pyrazol-1-amine
CID 4171354
4-Nitrosopyrazole
CID 20481516
3-Iodo-4-nitro-1H-pyrazole
CID 57506960
5-fluoro-4-nitroso-1H-pyrazol-2-ium
CID 176791243
4-Nitropyrazol-1-ide
CID 3376397
5-Azido-4-nitro-1H-pyrazole
CID 12328357
4-Nitro-5-(trimethylsilyl)-1H-pyrazole
CID 14591435

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-nitro-1H-pyrazole?
The IUPAC name of 5-fluoro-4-nitro-1H-pyrazole (CID 138112739) is 5-fluoro-4-nitro-1H-pyrazole.
What is the SMILES notation for 5-fluoro-4-nitro-1H-pyrazole?
The canonical SMILES for 5-fluoro-4-nitro-1H-pyrazole is O=[N+]([O-])c1cn[nH]c1F.
What is the InChIKey of 5-fluoro-4-nitro-1H-pyrazole?
The InChIKey is UPBOENTXFGZFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2FN3O2/c4-3-2(7(8)9)1-5-6-3/h1H,(H,5,6).
What are the key properties of 5-fluoro-4-nitro-1H-pyrazole?
5-fluoro-4-nitro-1H-pyrazole has a molecular weight of 131.07 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-nitro-1H-pyrazole is sourced from PubChem (CID 138112739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).