Basic information
- CAS
91948-27-5- Standard SMILES
Nc1c(-c2cccc(Cl)c2)n[nH]c1C(=O)O- InChIKey
OZYHUFTVCMWPEO-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O2
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0305042
Names & identifiers
- Preferred name
- 3-Pyrazolecarboxylic acid, 4-amino-5-(m-chlorophenyl)-
- IUPAC
- 4-amino-3-(3-chlorophenyl)-1H-pyrazole-5-carboxylic acid
Names & synonyms
3-Pyrazolecarboxylic acid, 4-amino-5-(m-chlorophenyl)-4-Amino-5-(m-chlorophenyl)-3-pyrazolecarboxylic acid91948-27-51H-Pyrazole-3-carboxylic acid, 4-amino-5-(3-chlorophenyl)-DTXSID70238797RefChem:281966DTXCID201612884-amino-3-(3-chlorophenyl)-1H-pyrazole-5-carboxylic acid
Database identifiers
- CAS
91948-27-5- PubChem CID
- 3045310
- DTXSID
DTXSID70238797
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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