1-[4-(Chloromethyl)-1,3-dimethyl-1H-pyrazol-5-yl]azepane
Basic information
- CAS
1152573-62-0- Standard SMILES
Cc1nn(C)c(N2CCCCCC2)c1CCl- InChIKey
QWXRXHGCFNPXIE-UHFFFAOYSA-N- Molecular formula
- C12H20ClN3
- Average molar mass
- 241.76 g/mol
- Monoisotopic mass
- 241.1345753
Names & identifiers
- Preferred name
- 1-[4-(Chloromethyl)-1,3-dimethyl-1H-pyrazol-5-yl]azepane
- IUPAC
- 1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]azepane
Names & synonyms
DTXSID6011573051152573-62-01-[4-(Chloromethyl)-1,3-dimethyl-1H-pyrazol-5-yl]azepane1-[4-(Chloromethyl)-1,3-dimethyl-1H-pyrazol-5-yl]hexahydro-1H-azepine
Database identifiers
- CAS
1152573-62-0- PubChem CID
- 28964321
- DTXSID
DTXSID601157305
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 21.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…