Basic information
- Standard SMILES
COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2cccn2)c1- InChIKey
LOMBKQULLOCDRR-UHFFFAOYSA-N- Molecular formula
- C21H23N3O2
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.17902698
Names & identifiers
- Preferred name
- 4'-Methyl-5-pyrazol-1-yl-biphenyl-3-carboxylic acid (2-methoxy-1-methyl-ethyl)-amide
- IUPAC
- N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-pyrazol-1-ylbenzamide
Names & synonyms
SCHEMBL13774517LOMBKQULLOCDRR-UHFFFAOYSA-N4'-Methyl-5-pyrazol-1-yl-biphenyl-3-carboxylic acid (2-methoxy-1-methyl-ethyl)-amide
Database identifiers
- PubChem CID
- 57770643
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
Related reactions
2 records
Compound notes
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