Basic information
- CAS
123345-07-3- Standard SMILES
CCCCCCCc1nn(-c2ccccc2)c2c1CCC2- InChIKey
QQKRUFBFYQMUSY-UHFFFAOYSA-N- Molecular formula
- C19H26N2
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.20959884
Names & identifiers
- Preferred name
- 3-Heptyl-1,4,5,6-tetrahydro-1-phenylcyclopentapyrazole
- IUPAC
- 3-heptyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
Names & synonyms
3-Heptyl-1,4,5,6-tetrahydro-1-phenylcyclopentapyrazoleSCHEMBL10479449DTXSID001207956123345-07-33-Heptyl-1-phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
Database identifiers
- CAS
123345-07-3- PubChem CID
- 20031083
- DTXSID
DTXSID001207956
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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