Basic information
- Standard SMILES
CCOC(=O)c1cnn(C)c1Nc1ccc(C)cc1[N+](=O)[O-]- InChIKey
NHEULSVQISCXHG-UHFFFAOYSA-N- Molecular formula
- C14H16N4O4
- Average molar mass
- 304.3 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-5-(4-methyl-2-nitro-phenylamino)-1H-pyrazole-4-carboxylic Acid Ethyl Ester
- IUPAC
- ethyl 1-methyl-5-(4-methyl-2-nitroanilino)pyrazole-4-carboxylate
Names & synonyms
SCHEMBL1495953SCHEMBL1495954NHEULSVQISCXHG-UHFFFAOYSA-N1-Methyl-5-(4-methyl-2-nitro-phenylamino)-1H-pyrazole-4-carboxylic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 57555413
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Related reactions
3 records
Compound notes
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