(3-Methyl-4-nitro-1H-pyrazol-1-YL)acetonitrile

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Basic information

Standard SMILES: Cc1nn(CC#N)cc1[N+](=O)[O-]
InChIKey: SYQCRWHYOCTRFX-UHFFFAOYSA-N
Molecular formula: C6H6N4O2
Average molar mass: 166.14 g/mol
Monoisotopic mass: 166.04907545

Names & identifiers

Preferred name: (3-Methyl-4-nitro-1H-pyrazol-1-YL)acetonitrile
IUPAC: 2-(3-methyl-4-nitropyrazol-1-yl)acetonitrile

Names & synonyms

1006955-98-12-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetonitrile(3-METHYL-4-NITRO-1H-PYRAZOL-1-YL)ACETONITRILEMFCD049696902-(3-methyl-4-nitropyrazolyl)ethanenitrile2-(3-Methyl-4-nitro-1-pyrazolyl)acetonitrile2-(3-methyl-4-nitropyrazol-1-yl)acetonitrileSCHEMBL14801791SYQCRWHYOCTRFX-UHFFFAOYSA-NSBB032247STL414459AKOS000309947

Show more names

DA-23356CS-0440209ST45255727EN300-2294572-(3-methyl-4-nitro-pyrazol-1-yl)acetonitrile

Database identifiers

PubChem CID: 19620685

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 87.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 227

Related reactions

2 records

New reaction record

HRID 577743As productuspto-grants-2015_05

HRID 577744As reactantuspto-grants-2015_05

Compound notes

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