Dimethyl 4-ethyl-3-methyl-1H-pyrazole-1,5-dicarboxylate
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Basic information
- CAS
591234-54-7- Standard SMILES
CCc1c(C)nn(C(=O)OC)c1C(=O)OC- InChIKey
SYBUOLCBAFRAAR-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- Dimethyl 4-ethyl-3-methyl-1H-pyrazole-1,5-dicarboxylate
- IUPAC
- dimethyl 4-ethyl-3-methylpyrazole-1,5-dicarboxylate
- English name
- 1H-Pyrazole-1,5-dicarboxylicacid,4-ethyl-3-methyl-,dimethylester(9CI)
- Molecular formula
- C10H14N2O4
- Molecular weight
- 0
Names & synonyms
Dimethyl 4-ethyl-3-methyl-1H-pyrazole-1,5-dicarboxylate125541-61-9591234-54-71H-Pyrazole-1,5-dicarboxylicacid,4-ethyl-3-methyl-,dimethylester(9CI)
Database identifiers
- CAS
591234-54-7- PubChem CID
- 45095617
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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