Ethyl 1-(4-tert-butoxy-3-cyanophenyl)pyrazole-4-carboxylate
Basic information
- Standard SMILES
CCOC(=O)c1cnn(-c2ccc(OC(C)(C)C)c(C#N)c2)c1- InChIKey
MSJDNSYTMFSXRO-UHFFFAOYSA-N- Molecular formula
- C17H19N3O3
- Average molar mass
- 313.35 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-(4-tert-butoxy-3-cyanophenyl)pyrazole-4-carboxylate
- IUPAC
- ethyl 1-[3-cyano-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazole-4-carboxylate
Names & synonyms
SCHEMBL7865076MSJDNSYTMFSXRO-UHFFFAOYSA-Nethyl 1-(4-tert-butoxy-3-cyanophenyl)pyrazole-4-carboxylate
Database identifiers
- PubChem CID
- 19366018
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
Related reactions
2 records
Compound notes
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