Basic information
- CAS
91948-28-6- Standard SMILES
CCOC(=O)c1[nH]nc(-c2cccc(C)c2)c1N- InChIKey
JWXHYLUXNUPKNJ-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2
- Average molar mass
- 245.28 g/mol
- Monoisotopic mass
- 245.11642673
Names & identifiers
- Preferred name
- Ethyl 4-amino-5-(3-methylphenyl)-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 4-amino-3-(3-methylphenyl)-1H-pyrazole-5-carboxylate
Names & synonyms
91948-28-6DTXSID00919441Ethyl 4-amino-5-(3-methylphenyl)-1H-pyrazole-3-carboxylateRefChem:1084931DTXCID5013483713-Pyrazolecarboxylic acid, 4-amino-5-(m-tolyl)-, ethyl ester1H-Pyrazole-3-carboxylic acid, 4-amino-5-(3-methylphenyl)-, ethyl ester4-Amino-5-(m-tolyl)-3-pyrazolecarboxylic acid ethyl esterCHEMBL2147755
Database identifiers
- CAS
91948-28-6- PubChem CID
- 3045309
- DTXSID
DTXSID00919441- ChEMBL
CHEMBL2147755
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…