3-(4-t-Butylphenyl)-4-chlorocarbonyl-1-(4-cyanophenyl)-2-methyl-2H-pyrazol-5-one
Basic information
- Standard SMILES
Cn1c(-c2ccc(C(C)(C)C)cc2)c(C(=O)Cl)c(=O)n1-c1ccc(C#N)cc1- InChIKey
NTFUNBMYWKUANF-UHFFFAOYSA-N- Molecular formula
- C22H20ClN3O2
- Average molar mass
- 393.9 g/mol
Names & identifiers
- Preferred name
- 3-(4-t-Butylphenyl)-4-chlorocarbonyl-1-(4-cyanophenyl)-2-methyl-2H-pyrazol-5-one
- IUPAC
- 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxopyrazole-4-carbonyl chloride
Names & synonyms
SCHEMBL8108688NTFUNBMYWKUANF-UHFFFAOYSA-N3-(4-t-Butylphenyl)-4-chlorocarbonyl-1-(4-cyanophenyl)-2-methyl-2H-pyrazol-5-one
Database identifiers
- PubChem CID
- 15435501
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 714
Related reactions
6 records
Compound notes
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