1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-aminophenyl)-5-phenyl-
Basic information
- CAS
96734-51-9- Standard SMILES
Nc1cccc(-n2nc(C(=O)O)c(C(=O)O)c2-c2ccccc2)c1- InChIKey
XGCHDUOELSXBMD-UHFFFAOYSA-N- Molecular formula
- C17H13N3O4
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.0906059
Names & identifiers
- Preferred name
- 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-aminophenyl)-5-phenyl-
- IUPAC
- 1-(3-aminophenyl)-5-phenylpyrazole-3,4-dicarboxylic acid
Names & synonyms
1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-aminophenyl)-5-phenyl-96734-51-9DTXSID102424791-(3-Aminophenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylic acid
Database identifiers
- CAS
96734-51-9- PubChem CID
- 176567
- DTXSID
DTXSID10242479
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
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Compound notes
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