(5-Amino-4-phenyl-pyrazol-1-yl)-acetic acid ethyl ester
Basic information
- CAS
245556-51-8- Standard SMILES
CCOC(=O)Cn1ncc(-c2ccccc2)c1N- InChIKey
JCYYSUIFIZUFOL-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2
- Average molar mass
- 245.28 g/mol
- Monoisotopic mass
- 245.11642673
Names & identifiers
- Preferred name
- (5-Amino-4-phenyl-pyrazol-1-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-(5-amino-4-phenylpyrazol-1-yl)acetate
Names & synonyms
BAS 01872154(5-Amino-4-phenyl-pyrazol-1-yl)-acetic acid ethyl esterOprea1_440301MLS000075983CHEMBL1406463DTXSID801259606HMS1705P01HMS2397D24245556-51-8SMR000010832Ethyl 5-amino-4-phenyl-1H-pyrazole-1-acetateEthyl (5-amino-4-phenyl-1H-pyrazol-1-yl)acetate
Show more names
SR-01000322276SR-01000322276-1
Database identifiers
- CAS
245556-51-8- PubChem CID
- 647535
- DTXSID
DTXSID801259606- ChEMBL
CHEMBL1406463
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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