Ethyl 3-amino-2-(2-oxopentyl)pyrazol-4-carboxylate
Basic information
- Standard SMILES
CCCC(=O)Cn1ncc(C(=O)OCC)c1N- InChIKey
RVGRLNXKWPFKBL-UHFFFAOYSA-N- Molecular formula
- C11H17N3O3
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.12699141
Names & identifiers
- Preferred name
- Ethyl 3-amino-2-(2-oxopentyl)pyrazol-4-carboxylate
- IUPAC
- ethyl 5-amino-1-(2-oxopentyl)pyrazole-4-carboxylate
Names & synonyms
SCHEMBL7008027RVGRLNXKWPFKBL-UHFFFAOYSA-NEthyl 3-amino-2-(2-oxopentyl)pyrazol-4-carboxylate
Database identifiers
- PubChem CID
- 20092995
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
1 records
Compound notes
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