3-Amino-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzamide
Basic information
- CAS
6750-80-7- Standard SMILES
Nc1cccc(C(=O)NC2=NN(c3ccccc3)C(=O)C2)c1- InChIKey
VXOVDLIFLAUDDK-UHFFFAOYSA-N- Molecular formula
- C16H14N4O2
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.1116757
Names & identifiers
- Preferred name
- 3-Amino-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzamide
- IUPAC
- 3-amino-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
Names & synonyms
6750-80-73-Amino-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzamideDTXSID40403718
Database identifiers
- CAS
6750-80-7- PubChem CID
- 4497469
- DTXSID
DTXSID40403718
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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