Basic information
- Standard SMILES
O=[N+]([O-])c1ccn(Cc2ccccc2)n1- InChIKey
UUQVFBBHWLZERQ-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
Names & identifiers
- Preferred name
- 1-benzyl-3-nitro-1H-pyrazole
- IUPAC
- 1-benzyl-3-nitropyrazole
Names & synonyms
1-benzyl-3-nitro-1H-pyrazole898053-27-51-benzyl-3-nitropyrazole3-nitro-1-benzylpyrazoleMFCD049699441-benzyl-3-nitro-pyrazole1H-Pyrazole, 3-nitro-1-(phenylmethyl)-SCHEMBL1866232SCHEMBL3649660UUQVFBBHWLZERQ-UHFFFAOYSA-NBBL039972SBB022197
Show more names
STK349650AKOS000310248AS-77958ST4109876D97230EN300-229666F025784SR-01000282919
Database identifiers
- PubChem CID
- 973649
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Related reactions
4 records
Compound notes
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