Basic information
- CAS
91857-70-4- Standard SMILES
CCOC(=O)c1c(N(C)C)c(-c2ccccc2)nn1C- InChIKey
ROTQBWNIJVWXGP-UHFFFAOYSA-N- Molecular formula
- C15H19N3O2
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.14772686
Names & identifiers
- Preferred name
- 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester
- IUPAC
- ethyl 4-(dimethylamino)-1-methyl-3-phenylpyrazole-5-carboxylate
Names & synonyms
91857-70-45-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl esterRefChem:1073245Ethyl 4-(dimethylamino)-1-methyl-3-phenyl-1H-pyrazole-5-carboxylateEthyl 4-dimethylamino-3-phenyl-1-methyl-(1H)-pyrazole-5-carboxylate4-(Dimethylamino)-1-methyl-3-phenyl-5-pyrazolecarboxylic acid ethyl ester1H-Pyrazole-5-carboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl esteDTXSID80919484
Database identifiers
- CAS
91857-70-4- PubChem CID
- 5744094
- DTXSID
DTXSID80919484
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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