Basic information
- CAS
76424-50-5- Standard SMILES
CCCc1[nH]nc(C(=O)OCC)c1N- InChIKey
UWDSTWOEADSODH-UHFFFAOYSA-N- Molecular formula
- C9H15N3O2
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.11642673
Names & identifiers
- Preferred name
- ethyl 4-amino-5-propyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 4-amino-5-propyl-1H-pyrazole-3-carboxylate
Names & synonyms
76424-50-5ethyl 4-amino-5-propyl-1H-pyrazole-3-carboxylateDTXSID101236328Ethyl Ester 4-amino-5-propyl-1H-Pyrazole-3-carboxylic acid
Database identifiers
- CAS
76424-50-5- PubChem CID
- 23005656
- DTXSID
DTXSID101236328
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…