Basic information
- CAS
1517860-48-8- Standard SMILES
Cn1ncc([N+](=O)[O-])c1C=O- InChIKey
IZIYKUMGMYONAT-UHFFFAOYSA-N- Molecular formula
- C5H5N3O3
- Average molar mass
- 155.11 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-4-nitro-pyrazole-3-carbaldehyde
- IUPAC
- 1-methyl-4-nitropyrazole-5-carbaldehyde
Names & synonyms
1-Methyl-4-nitro-1H-pyrazole-5-carbaldehyde1517860-48-82-methyl-4-nitro-pyrazole-3-carbaldehyde2-methyl-4-nitropyrazole-3-carbaldehydeSCHEMBL13764829IZIYKUMGMYONAT-UHFFFAOYSA-NSKC86048DB-116152CS-0376853EN300-1725322Z1813191519
Database identifiers
- CAS
1517860-48-8- PubChem CID
- 59812940
- EC Number
- 190-290-6
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Related reactions
9 records
Compound notes
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