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Basic information
- CAS
346440-92-4- Standard SMILES
CCOC(=O)c1c(C)nn(-c2ccccc2N)c1C- InChIKey
UNHOWSNRQFPKSS-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.13207678
Names & identifiers
- Preferred name
- 3,5-dimethyl-1-(2-aminophenyl)-1H-Pyrazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-(2-aminophenyl)-3,5-dimethylpyrazole-4-carboxylate
Names & synonyms
3,5-dimethyl-1-(2-aminophenyl)-1H-Pyrazole-4-carboxylic acid ethyl ester346440-92-4SCHEMBL6070491UNHOWSNRQFPKSS-UHFFFAOYSA-NDTXSID701176902Ethyl 1-(2-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
Database identifiers
- CAS
346440-92-4- PubChem CID
- 9899892
- DTXSID
DTXSID701176902
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Related reactions
3 records
Compound notes
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