Basic information
- CAS
5083-30-7- Standard SMILES
O=[N+]([O-])c1ccccc1-n1nc(C2CCCCC2)c2c1NCC2- InChIKey
BVZZFHVHBJJCLY-UHFFFAOYSA-N- Molecular formula
- C17H20N4O2
- Average molar mass
- 312.37 g/mol
- Monoisotopic mass
- 312.15862589
Names & identifiers
- Preferred name
- 3-Cyclohexyl-1-(2-nitrophenyl)-1,2,4,5-tetrahydropyrrolo[2,3-c]pyrazole
- IUPAC
- 3-cyclohexyl-1-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
Names & synonyms
5083-30-7DTXSID504224703-Cyclohexyl-1-(2-nitrophenyl)-1,2,4,5-tetrahydropyrrolo[2,3-c]pyrazole
Database identifiers
- CAS
5083-30-7- PubChem CID
- 5239337
- DTXSID
DTXSID50422470
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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