Basic information
- CAS
23147-80-0- Standard SMILES
CC1=NN=C(C)C1(C)Cc1ccccc1- InChIKey
DFYZWLUWIIRZOH-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 4-Benzyl-3,4,5-trimethyl-4H-pyrazole
- IUPAC
- 4-benzyl-3,4,5-trimethylpyrazole
- English name
- 4-Benzyl-3,4,5-trimethyl-4H-pyrazole
- Molecular weight
- 0
Names & synonyms
4-Benzyl-3,4,5-trimethyl-4H-pyrazole4-benzyl-3,4,5-trimethylpyrazoleDTXSID50340286DFYZWLUWIIRZOH-UHFFFAOYSA-N23147-80-04-Benzyl-3,4,5-trimethyl-4H-pyrazole #4H-Pyrazole, 4-phenylmethyl-3,4,5-trimethyl-
Database identifiers
- CAS
23147-80-0- PubChem CID
- 563273
- DTXSID
DTXSID50340286- Nikkaji
- J45.362E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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