[2-[[5-Tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl] 3-acetamido-3-phenylpropanoate
Basic information
- CAS
1170889-50-5- Standard SMILES
CC(=O)NC(CC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)c1ccccc1- InChIKey
RNLZOEZETYFELQ-UHFFFAOYSA-N- Molecular formula
- C26H29ClN4O4
- Average molar mass
- 497 g/mol
- Monoisotopic mass
- 496.1877331
Names & identifiers
- Preferred name
- [2-[[5-Tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl] 3-acetamido-3-phenylpropanoate
- IUPAC
- [2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl] 3-acetamido-3-phenylpropanoate
Names & synonyms
1170889-50-5[2-[[5-Tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl] 3-acetamido-3-phenylpropanoateDTXSID201107889AKOS008130360Z4157278282-[[1-(2-Chlorophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl I(2)-(acetylamino)benzenepropanoate
Database identifiers
- CAS
1170889-50-5- PubChem CID
- 42961327
- DTXSID
DTXSID201107889
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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