2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate
Basic information
- CAS
956729-48-9- Standard SMILES
Cc1cc([N+](=O)[O-])nn1CC(=O)Oc1ccc2ccccc2c1- InChIKey
FTNAVOCRKRCUET-UHFFFAOYSA-N- Molecular formula
- C16H13N3O4
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.0906059
Names & identifiers
- Preferred name
- 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate
- IUPAC
- naphthalen-2-yl 2-(5-methyl-3-nitropyrazol-1-yl)acetate
Names & synonyms
956729-48-92-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetateRefChem:264217naphthalen-2-yl 2-(5-methyl-3-nitropyrazol-1-yl)acetatenaphthalen-2-yl (5-methyl-3-nitro-1H-pyrazol-1-yl)acetate2-naphthyl (5-methyl-3-nitro-1H-pyrazol-1-yl)acetateFTNAVOCRKRCUET-UHFFFAOYSA-NDTXSID7012147421H-Pyrazole-1-acetic acid, 5-methyl-3-nitro-, 2-naphthalenyl esterSTK783357AKOS001730923ST4123524
Show more names
2-naphthyl 2-(5-methyl-3-nitropyrazolyl)acetate
Database identifiers
- CAS
956729-48-9- PubChem CID
- 5301152
- DTXSID
DTXSID701214742
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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