Basic information
- Standard SMILES
COc1ccccc1-n1nc(C)c(C)c1C- InChIKey
WYBTUEZSNBFYFN-UHFFFAOYSA-N- Molecular formula
- C13H16N2O
- Average molar mass
- 216.28 g/mol
Names & identifiers
- Preferred name
- 1-(2-Methoxyphenyl)-3,4,5-trimethyl-1H-pyrazole
- IUPAC
- 1-(2-methoxyphenyl)-3,4,5-trimethylpyrazole
Names & synonyms
SCHEMBL15443100WYBTUEZSNBFYFN-UHFFFAOYSA-NAKOS0062388581-(2-Methoxyphenyl)-3,4,5-trimethyl-1H-pyrazol1-(2-Methoxyphenyl)-3,4,5-trimethyl-1H-pyrazole
Database identifiers
- PubChem CID
- 55219440
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
1 records
Compound notes
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