ethyl 5-amino-1-(2-chlorophenyl)-1H-pyrazole-3-carboxylate
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Basic information
- CAS
866838-00-8- Standard SMILES
CCOC(=O)c1cc(N)n(-c2ccccc2Cl)n1- InChIKey
FBOILMBKKUPOPT-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O2
- Average molar mass
- 265.69 g/mol
- Monoisotopic mass
- 265.0618043
Names & identifiers
- Preferred name
- ethyl 5-amino-1-(2-chlorophenyl)-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 5-amino-1-(2-chlorophenyl)pyrazole-3-carboxylate
- English name
- 5-Amino-1-(2-chloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester
- Molecular formula
- C12H12ClN3O2
- Molecular weight
- 265.7
Names & synonyms
866838-00-8ethyl 5-amino-1-(2-chlorophenyl)-1H-pyrazole-3-carboxylateethyl 5-amino-1-(2-chlorophenyl)pyrazole-3-carboxylate5-Amino-1-(2-chloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl esterMFCD07388425SCHEMBL14357204DTXSID406933395-AMINO-1-(2-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTERAKOS015901724DB-076709F17251F336096
Show more names
1H-Pyrazole-3-carboxylic acid, 5-amino-1-(2-chlorophenyl)-, ethyl ester
ethyl5-amino-1-(2-chlorophenyl)-1H-pyrazole-3-carboxylate
Database identifiers
- CAS
866838-00-8- PubChem CID
- 53302151
- DTXSID
DTXSID40693339
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Density
- 1.37 · 1.37
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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