Basic information
- Standard SMILES
COC(=O)c1cc(Cc2ccc(-c3cn(C)nc3C)nc2)c(C)cc1O- InChIKey
VAAXRBYTDMBDRD-UHFFFAOYSA-N- Molecular formula
- C20H21N3O3
- Average molar mass
- 351.4 g/mol
Names & identifiers
- Preferred name
- methyl 5-((6-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)-2-hydroxy-4-methylbenzoate
- IUPAC
- methyl 5-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-2-hydroxy-4-methylbenzoate
Names & synonyms
SCHEMBL17201254VAAXRBYTDMBDRD-UHFFFAOYSA-Nmethyl 5-((6-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)-2-hydroxy-4-methylbenzoate
Database identifiers
- PubChem CID
- 118468340
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 489
Related reactions
1 records
Compound notes
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