Basic information
- Standard SMILES
CCc1ccccc1Nc1cnn(C)c1C(=O)O- InChIKey
AAMOBQDJVFBGFK-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2
- Average molar mass
- 245.28 g/mol
Names & identifiers
- Preferred name
- 4-[(2-ethylphenyl)amino]-1-methyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 4-(2-ethylanilino)-1-methylpyrazole-5-carboxylic acid
Names & synonyms
SCHEMBL6786512AAMOBQDJVFBGFK-UHFFFAOYSA-N4-[(2-ethylphenyl)amino]-1-methyl-1H-pyrazole-5-carboxylic acid
Database identifiers
- PubChem CID
- 12985706
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
1 records
Linked notes
Loading…