Chemical Compound
3-(4-nitro-1H-pyrazol-1-yl)propanenitrile
CAS Registry Number1002243-79-9
Primary record
3-(4-nitro-1H-pyrazol-1-yl)propanenitrile
- CAS
- 1002243-79-9
- PubChem CID
- 4773276
- SMILES
- C1=C(C=NN1CCC#N)[N+](=O)[O-]
- Molecular Formula
- C6H6N4O2
- Molecular Weight
- 166.14
- Exact Mass
- 166.0491
- InChI
- InChI=1S/C6H6N4O2/c7-2-1-3-9-5-6(4-8-9)10(11)12/h4-5H,1,3H2
- InChIKey
- AVGYTRKUYWYTNV-UHFFFAOYSA-N
- LogP
- 0.705
- TPSA
- 84.75
Names and synonyms
- 3-(4-nitro-1H-pyrazol-1-yl)propanenitrile
- 1002243-79-9
- 1-Methylxanthine
- 3-(4-nitropyrazol-1-yl)propanenitrile
- AC1NHZ4H
- MFCD02029339
- 1H-Pyrazole-1-propanenitrile, 4-nitro-
- C6H6N4O2
- 3-(4-nitropyrazolyl)propanenitrile
- SCHEMBL22166004
- CTK5I4072
- AVGYTRKUYWYTNV-UHFFFAOYSA-N
- ALBB-004633
- ZINC2388604
- BBL038390
- SBB021420
- STK305067
- ZINC02388604
- 3-(4-nitropyrazol-1-yl)propanitrile
- 4-Nitro-1H-pyrazole-1-propanenitrile
- AKOS000306147
- AKOS015922259
- CID4773276
- KS-00001N95
- 3-(4-Nitro-pyrazol-1-yl)-propionitrile
- AJ-35508
- AS-63666
- BB046237
- SY122852
- 3-(4-nitro-1H-pyrazol-1-yl)propionitrile