Basic information
- Standard SMILES
CCOC(=O)c1cnn(C)c1Nc1ccccc1N- InChIKey
VLRMKYHACWWZEJ-UHFFFAOYSA-N- Molecular formula
- C13H16N4O2
- Average molar mass
- 260.29 g/mol
Names & identifiers
- Preferred name
- ethyl 5-(2-aminophenylamino)-1-methyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-(2-aminoanilino)-1-methylpyrazole-4-carboxylate
Names & synonyms
749226-94-6Ethyl 5-((2-aminophenyl)amino)-1-methyl-1H-pyrazole-4-carboxylateethyl 5-(2-aminophenylamino)-1-methyl-1H-pyrazole-4-carboxylateSCHEMBL1495921SCHEMBL30933993VLRMKYHACWWZEJ-UHFFFAOYSA-NDA-031075-(2-amino-phenylamino)-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 57555331
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
4 records
Linked notes
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