3,5-Dimethyl-1,4-diallylpyrazole
Basic information
- Standard SMILES
C=CCc1c(C)nn(CC=C)c1C- InChIKey
BYQUXKFPPIMUKC-UHFFFAOYSA-N- Molecular formula
- C11H16N2
- Average molar mass
- 176.26 g/mol
- Monoisotopic mass
- 176.13134852
Names & identifiers
- Preferred name
- 3,5-Dimethyl-1,4-diallylpyrazole
- IUPAC
- 3,5-dimethyl-1,4-bis(prop-2-enyl)pyrazole
Names & synonyms
3,5-Dimethyl-1,4-diallylpyrazoleBYQUXKFPPIMUKC-UHFFFAOYSA-NDTXSID6013594301,4-DIALLYL-3,5-DIMETHYLPYRAZOLE1,4-Diallyl-3,5-dimethyl-1H-pyrazole #Q63392241
Database identifiers
- PubChem CID
- 600666
- DTXSID
DTXSID601359430- Nikkaji
- J46.777D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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