Basic information
- CAS
300732-32-5- Standard SMILES
COc1ccc(C)cc1NC(=O)c1c([N+](=O)[O-])cnn1C- InChIKey
NMXQQJQVLBSPHU-UHFFFAOYSA-N- Molecular formula
- C13H14N4O4
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.10150494
Names & identifiers
- Preferred name
- N-(2-methoxy-5-methylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
- IUPAC
- N-(2-methoxy-5-methylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide
Names & synonyms
N-(2-methoxy-5-methylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamideN-(2-methoxy-5-methylphenyl)-2-methyl-4-nitropyrazole-3-carboxamideOprea1_192113Oprea1_267069300732-32-5MLS001202781CHEMBL1465313DTXSID101328234HMS2847F19STK751358AKOS000666737SMR000513216
Show more names
2-Methyl-4-nitro-2H-pyrazole-3-carboxylic acid (2-methoxy-5-methyl-phenyl)-amide
Database identifiers
- CAS
300732-32-5- PubChem CID
- 690237
- DTXSID
DTXSID101328234- ChEMBL
CHEMBL1465313
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Solubility20.3 [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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