Basic information
- Standard SMILES
CCOC(=O)c1cc(C(C)(C)C)nn1CC(=O)N1CCOCC1- InChIKey
FHWFDOUCPPFEDI-UHFFFAOYSA-N- Molecular formula
- C16H25N3O4
- Average molar mass
- 323.39 g/mol
Names & identifiers
- Preferred name
- ethyl 3-tert-butyl-1-(2-morpholino-2-oxoethyl)-1H-pyrazole-5-carboxylate
- IUPAC
- ethyl 3-tert-butyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-5-carboxylate
Names & synonyms
SCHEMBL4419304FHWFDOUCPPFEDI-UHFFFAOYSA-NDB-101076ethyl 3-tert-butyl-1-(2-morpholino-2-oxoethyl)-1H-pyrazole-5-carboxylate1012880-30-6
Database identifiers
- PubChem CID
- 69036388
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Related reactions
2 records
Compound notes
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