Molecule record

1H-pyrazole-4-carbonitrile

C4H3N3

93.09 g/mol

Loading structure

Molecular properties

Formula
C4H3N3
Molar mass
93.09 g·mol−1
Exact mass
93.0327 Da
5
PubChem CID
564449

Functional groups

Nitrile

Physical properties

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

Common names and synonyms

  • 1H-PYRAZOL-4-YL CYANIDE
  • 1H-Pyrazole-4-carbonitrile, AldrichCPR
  • 31108-57-3
  • 4-Cyano-1H-pyrazole
  • 4-Cyanopyrazole
  • 803-601-3
  • A820724
  • AMY11890
Show all 24 synonyms
  • AS-58699
  • CHEMBL5401004
  • CS-W007650
  • DTXSID90340402
  • F8883-2654
  • MFCD00040250
  • Pyrazole-4-carbonitrile
  • Pyrazole-4-carbonitrile; 1H-Pyrazole-4-carbonitrile
  • RefChem:439074
  • SB19925
  • SCHEMBL1122706
  • SCHEMBL116942
  • SCHEMBL2047192
  • SCHEMBL324950
  • SY035874
  • Z1082448648

Structure identifiers

Canonical SMILES
N#Cc1cn[nH]c1
Isomeric SMILES
C1=C(C=NN1)C#N
InChI
InChI=1S/C4H3N3/c5-1-4-2-6-7-3-4/h2-3H,(H,6,7)
InChIKey
NUGZBVBZIDWZAD-UHFFFAOYSA-N
PubChem CID
564449

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

Simulated EI mass spectrum

On-demand educational fragmentation for 1H-pyrazole-4-carbonitrile; not experimental data.

Sources

Molecule identity

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

Open source record