Basic information
- CAS
61453-46-1- Standard SMILES
Cc1cc(C)n(C(C)n2nc(C)cc2C)n1- InChIKey
XGOAPIRHXNVLFQ-UHFFFAOYSA-N- Molecular formula
- C12H18N4
- Average molar mass
- 218.3 g/mol
- Monoisotopic mass
- 218.15314659
Names & identifiers
- Preferred name
- 1-[1-(3,5-Dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
- IUPAC
- 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
Names & synonyms
1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole61453-46-11H-Pyrazole, 1,1'-ethylidenebis[3,5-dimethyl-MLS000077168CHEMBL1884534SCHEMBL17853361DTXSID30349398HMS1675I10HMS2392F12bis(3,5-dimethylpyrazol-1-yl)ethaneAKOS000599839SMR000010162
Show more names
ST50248002AG-690/13205138SR-01000312835SR-01000312835-11,1'-(Ethane-1,1-diyl)bis(3,5-dimethyl-1H-pyrazole)1-[1-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole
Database identifiers
- CAS
61453-46-1- PubChem CID
- 644841
- DTXSID
DTXSID30349398- ChEMBL
CHEMBL1884534
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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