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Basic information
- Standard SMILES
CCOC(=O)c1cn(C(=O)OC(C)(C)C)nc1OCOC- InChIKey
YLVRRPJTEBULQM-UHFFFAOYSA-N- Molecular formula
- C13H20N2O6
- Average molar mass
- 300.31 g/mol
Names & identifiers
- Preferred name
- 4-ethyl 1-tert-butyl 3-(methoxymethoxy)-1H-pyrazole-1,4-dicarboxylate
- IUPAC
- 1-O-tert-butyl 4-O-ethyl 3-(methoxymethoxy)pyrazole-1,4-dicarboxylate
Names & synonyms
SCHEMBL4849339YLVRRPJTEBULQM-UHFFFAOYSA-N4-ethyl 1-tert-butyl 3-(methoxymethoxy)-1H-pyrazole-1,4-dicarboxylate
Database identifiers
- PubChem CID
- 69216511
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
Related reactions
4 records
Compound notes
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