3-(4-Chlorophenyl)-5-[5-(4-chlorophenyl)-1h-pyrazol-3-yl]-1h-pyrazole
Basic information
- CAS
401635-88-9- Standard SMILES
Clc1ccc(-c2cc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)[nH]n2)cc1- InChIKey
FPHOXKBGWGCBAX-UHFFFAOYSA-N- Molecular formula
- C18H12Cl2N4
- Average molar mass
- 355.2 g/mol
- Monoisotopic mass
- 354.0439018
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5-[5-(4-chlorophenyl)-1h-pyrazol-3-yl]-1h-pyrazole
- IUPAC
- 3-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrazole
Names & synonyms
NSC682586401635-88-95,5'-BIS(4-CHLOROPHENYL)-1H,2'H-3,3'-BIPYRAZOLE3-(4-chlorophenyl)-5-[5-(4-chlorophenyl)-1h-pyrazol-3-yl]-1h-pyrazoleCBDivE_015113CHEMBL1993513DTXSID303277573-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrazoleAKOS024363391NSC-682586NCI60_029587ST50994813
Show more names
AG-205/076830223,5'-Bi-1H-pyrazole, 3',5-bis(4-chlorophenyl)-5,5'-Bis(4-chlorophenyl)-2H,2'H-3,3'-bipyrazole3-(4-chlorophenyl)-5-[5-(4-chlorophenyl)pyrazol-3-yl]pyrazole
Database identifiers
- CAS
401635-88-9- PubChem CID
- 388121
- DTXSID
DTXSID30327757- ChEMBL
CHEMBL1993513- Nikkaji
- J2.509.711D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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