Basic information
- Standard SMILES
CCCCn1nc(C(=O)OCC)cc1CC- InChIKey
PQCPFZYXJYCHSF-UHFFFAOYSA-N- Molecular formula
- C12H20N2O2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.15247789
Names & identifiers
- Preferred name
- ethyl 5-ethyl-1-butyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 1-butyl-5-ethylpyrazole-3-carboxylate
Names & synonyms
SCHEMBL1231889PQCPFZYXJYCHSF-UHFFFAOYSA-Nethyl 5-ethyl-1-butyl-1H-pyrazole-3-carboxylate
Database identifiers
- PubChem CID
- 66958154
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
7 records
Compound notes
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