Basic information
- CAS
293329-70-1- Standard SMILES
CC(=O)Nc1ccc(NC(=O)c2ccnn2C)cc1- InChIKey
YEDBGJGVFOBORP-UHFFFAOYSA-N- Molecular formula
- C13H14N4O2
- Average molar mass
- 258.28 g/mol
- Monoisotopic mass
- 258.1116757
Names & identifiers
- Preferred name
- N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
- IUPAC
- N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
Names & synonyms
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide293329-70-1N-[4-(acetylamino)phenyl]-1-methyl-1H-pyrazole-5-carboxamideN-(4-acetamidophenyl)-1-methyl-1H-pyrazole-5-carboxamideChemDiv3_000595Cambridge id 5249017Oprea1_044538Oprea1_602342MLS001143841CHEMBL1704500DTXSID501329896HMS1474L01
Show more names
HMS2778D24AKOS000666770SDCCGMLS-0064767.P001NCGC00172707-01SMR000473280AG-690/40114322SR-01000399520SR-01000399520-1
Database identifiers
- CAS
293329-70-1- PubChem CID
- 747516
- DTXSID
DTXSID501329896- ChEMBL
CHEMBL1704500
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Experimental & physicochemical properties
Solubility36 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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