Ethyl 3-{3-t-butyl-5-[3-(4-chlorophenyl)ureido]-1h-pyrazol-1-yl}benzoate

HCID 21867337

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

Related reactions

16 records

Compound notes

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