Basic information
- Standard SMILES
O=[N+]([O-])c1c(Br)nn(CCO)c1N1CCC(O)C1- InChIKey
PLCRNQNCUGVIPQ-UHFFFAOYSA-N- Molecular formula
- C9H13BrN4O4
- Average molar mass
- 321.13 g/mol
Names & identifiers
- Preferred name
- 1-[5-bromo-2-(2-hydroxyethyl)-4-nitro-2H-pyrazol-3-yl]pyrrolidin-3-ol
- IUPAC
- 1-[3-bromo-1-(2-hydroxyethyl)-4-nitropyrazol-5-yl]pyrrolidin-3-ol
Names & synonyms
SCHEMBL6068973PLCRNQNCUGVIPQ-UHFFFAOYSA-N1-[5-bromo-2-(2-hydroxyethyl)-4-nitro-2H -pyrazol-3-yl]pyrrolidin-3-ol
Database identifiers
- PubChem CID
- 13007237
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
1 records
Compound notes
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