3-Ethyl-1-hydroxy-4-nitroso-2-oxido-5-phenylpyrazol-2-ium
Basic information
- CAS
17036-81-6- Standard SMILES
CCc1c(N=O)c(-c2ccccc2)n(O)[n+]1[O-]- InChIKey
XDTJSRPKIYDAMR-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004122
Names & identifiers
- Preferred name
- 3-Ethyl-1-hydroxy-4-nitroso-2-oxido-5-phenylpyrazol-2-ium
- IUPAC
- 3-ethyl-1-hydroxy-4-nitroso-2-oxido-5-phenylpyrazol-2-ium
Names & synonyms
MLS00311517917036-81-6NSC236246CHEMBL2140449CHEMBL4296918DTXSID20311029NSC-236246SMR0018307623-Ethyl-4-nitroso-2-oxo-5-phenyl-1H-2lambda~5~-pyrazol-1-ol
Database identifiers
- CAS
17036-81-6- PubChem CID
- 314948
- DTXSID
DTXSID20311029- ChEMBL
CHEMBL2140449、CHEMBL4296918
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
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Related reactions
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Compound notes
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