5-(2,4-Dichlorophenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
Basic information
- CAS
114456-85-8- Standard SMILES
Clc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)c(Cl)c1- InChIKey
NLPXIMXVUDOTIT-UHFFFAOYSA-N- Molecular formula
- C21H16Cl2N2
- Average molar mass
- 367.3 g/mol
- Monoisotopic mass
- 366.0690539
Names & identifiers
- Preferred name
- 5-(2,4-Dichlorophenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
- IUPAC
- 3-(2,4-dichlorophenyl)-2,5-diphenyl-3,4-dihydropyrazole
Names & synonyms
114456-85-85-(2,4-Dichlorophenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazoleDTXSID40612126RefChem:299303DTXCID10562881SCHEMBL9648922
Database identifiers
- CAS
114456-85-8- PubChem CID
- 21297798
- DTXSID
DTXSID40612126
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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