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Molecule record

5-nitro-1H-pyrazole

C3H3N3O2

113.08 g/mol

Loading structure

Molecular properties

Formula
C3H3N3O2
Molar mass
113.08 g·mol−1
Exact mass
113.0225 Da
4
PubChem CID
123419

Functional groups

Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1H-Pyrazole, 3-nitro-
  • 26621-44-3
  • 3-Nitro-1H-pyrazole
  • 3-Nitro-pyrazole
  • 3-Nitropyrazole
  • 3-nitro-(1H)pyrazole
  • 3-nitro-2H-pyrazole
  • 5-NITRO-1H-PYRAZOL
Show all 24 synonyms
  • 5-nitropyrazole
  • DTXCID30103659
  • DTXSID20181168
  • Djw-94
  • MFCD00159621
  • MFCD00238787
  • Pyrazole, 3-nitro-
  • RefChem:504509
  • SCHEMBL1025867
  • SCHEMBL116884
  • SCHEMBL353538
  • SCHEMBL751855
  • SCHEMBL938
  • aci-nitropyrazole
  • nitropyrazole
  • orb2940440

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1ccn[nH]1
Isomeric SMILES
C1=C(NN=C1)[N+](=O)[O-]
InChI
InChI=1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5)
InChIKey
MZRUFMBFIKGOAL-UHFFFAOYSA-N
PubChem CID
123419

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 5-nitro-1H-pyrazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 5-nitro-1H-pyrazole; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record