Basic information
- Standard SMILES
CCOC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Cl)cc2)c1- InChIKey
PLWTXWBKKPXFNQ-UHFFFAOYSA-N- Molecular formula
- C23H25ClN4O3
- Average molar mass
- 440.9 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-{3-t-butyl-5-[3-(4-chlorophenyl)ureido]-1h-pyrazol-1-yl}benzoate
- IUPAC
- ethyl 3-[3-tert-butyl-5-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]benzoate
Names & synonyms
SCHEMBL2083858PLWTXWBKKPXFNQ-UHFFFAOYSA-Nethyl 3-{3-t-butyl-5-[3-(4-chlorophenyl)ureido]-1h-pyrazol-1-yl}benzoateethyl 3-{3-tert-butyl-5-[3-(4-chlorophenyl)ureido]-1h-pyrazol-yl}benzoateEthyl 3-(3-(tert-butyl)-5-(3-(4-chlorophenyl)ureido)-1H-pyrazol-1-yl)benzoateethyl 3-{3-tert-butyl-5-[3-(4-chlorophenyl)ureido]-1h-pyrazol-1-yl}benzoate725685-95-0
Database identifiers
- PubChem CID
- 21867337
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 618
Related reactions
16 records
Compound notes
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