Basic information
- CAS
21484-38-8- Standard SMILES
Cl.O=C(CCN1CCCCCC1)c1nn(-c2ccccc2)c2c1CCC2- InChIKey
JQMAXRHGLWDYOQ-UHFFFAOYSA-N- Molecular formula
- C21H28ClN3O
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1920902
Names & identifiers
- Preferred name
- 1-Propanone, 3-(hexahydro-1H-azepin-1-yl)-1-(1,4,5,6-tetrahydro-1-phenyl-3-cyclopentapyrazolyl)-, monohydrochloride
- IUPAC
- 3-(azepan-1-yl)-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)propan-1-one;hydrochloride
Names & synonyms
Poli 9521484-38-81-Propanone, 3-(hexahydro-1H-azepin-1-yl)-1-(1,4,5,6-tetrahydro-1-phenyl-3-cyclopentapyrazolyl)-, monohydrochlorideDTXSID60175768RefChem:235011DTXCID60982593-(Azepan-1-yl)-1-(1-phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
21484-38-8- PubChem CID
- 210657
- DTXSID
DTXSID60175768
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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