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Molecule record

4-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
16376

Functional groups

Nitro compound

Physical properties

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

Common names and synonyms

  • 1H-Pyrazole, 4-nitro-
  • 2075-46-9
  • 4-NITROPYRRAZOLE
  • 4-NO2-pyrazole
  • 4-Nitro-1H-pyrazole #
  • 4-Nitro-1H-pyrazole, 97%
  • 4-Nitropyrazole
  • 4-nitro-1-H-pyrazole
Show all 24 synonyms
  • 4-nitro-1H-pyrazol
  • 4-nitropyrazol
  • 629-226-3
  • A929152
  • AF-625/00306041
  • BCP26162
  • EN300-30405
  • F2147-0932
  • FT-0647777
  • MFCD00159626
  • PYRAZOLE, 4-NITRO-
  • RefChem:525841
  • SB35228
  • SCHEMBL163689
  • SCHEMBL649191
  • SY005156

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cn[nH]c1
Isomeric SMILES
C1=C(C=NN1)[N+](=O)[O-]
InChI
InChI=1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5)
InChIKey
XORHNJQEWQGXCN-UHFFFAOYSA-N
PubChem CID
16376

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 4-nitro-1H-pyrazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-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