[5-Amino-3-(4-chloro-phenyl)-pyrazol-1-yl]-acetic acid ethyl ester
Basic information
- CAS
245556-54-1- Standard SMILES
CCOC(=O)Cn1nc(-c2ccc(Cl)cc2)cc1N- InChIKey
AMPBZZXDMZBUGU-UHFFFAOYSA-N- Molecular formula
- C13H14ClN3O2
- Average molar mass
- 279.72 g/mol
- Monoisotopic mass
- 279.0774544
Names & identifiers
- Preferred name
- [5-Amino-3-(4-chloro-phenyl)-pyrazol-1-yl]-acetic acid ethyl ester
- IUPAC
- ethyl 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetate
Names & synonyms
[5-Amino-3-(4-chloro-phenyl)-pyrazol-1-yl]-acetic acid ethyl esterethyl 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetateSMR000010834MLS000075982MLS002539321CHEMBL1609660DTXSID901207791HMS2418L04AKOS000609229245556-54-1ST50010727SR-01000322277
Show more names
SR-01000322277-1Ethyl 5-amino-3-(4-chlorophenyl)-1H-pyrazole-1-acetateEthyl [5-amino-3-(4-chlorophenyl)-1H-pyrazol-1-yl]acetate
Database identifiers
- CAS
245556-54-1- PubChem CID
- 650557
- DTXSID
DTXSID901207791- ChEMBL
CHEMBL1609660
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
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Compound notes
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