5-anilino-4-(ethoxycarbonyl)-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
1038762-05-8- Standard SMILES
CCOC(=O)c1c(Nc2ccccc2)n[nH]c1C(=O)O- InChIKey
WDNFZDBQMHJNDC-UHFFFAOYSA-N- Molecular formula
- C13H13N3O4
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.0906059
Names & identifiers
- Preferred name
- 5-anilino-4-(ethoxycarbonyl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 3-anilino-4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
Names & synonyms
AKOS0244037825-anilino-4-(ethoxycarbonyl)-1H-pyrazole-3-carboxylic acid
Database identifiers
- CAS
1038762-05-8- PubChem CID
- 4096019
- EC Number
- 119-593-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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