Basic information
- Standard SMILES
CCOC(=O)c1cnc(-n2cccn2)nc1OCc1ccccc1- InChIKey
UTIBHSNNORHGEI-UHFFFAOYSA-N- Molecular formula
- C17H16N4O3
- Average molar mass
- 324.33 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(benzyloxy)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxylate
- IUPAC
- ethyl 4-phenylmethoxy-2-pyrazol-1-ylpyrimidine-5-carboxylate
Names & synonyms
SCHEMBL2579081UTIBHSNNORHGEI-UHFFFAOYSA-NDB-108845Ethyl 4-(benzyloxy)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxylate1343460-27-4
Database identifiers
- PubChem CID
- 67460482
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
Related reactions
5 records
Compound notes
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