5-(4-Chlorophenyl)-1,3-diphenylpyrazole
Basic information
- CAS
27293-94-3- Standard SMILES
Clc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1- InChIKey
JLUOYYKTIZVFDY-UHFFFAOYSA-N- Molecular formula
- C21H15ClN2
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.0923762
Names & identifiers
- Preferred name
- 5-(4-Chlorophenyl)-1,3-diphenylpyrazole
- IUPAC
- 5-(4-chlorophenyl)-1,3-diphenylpyrazole
Names & synonyms
5-(4-chlorophenyl)-1,3-diphenylpyrazole27293-94-3DTXSID70299828RefChem:299861DTXCID60250963CHEMBL33098045-(4-chlorophenyl)-1,3-diphenyl-1h-pyrazoleNSC133079SCHEMBL6369452BDBM50045444NSC-133079
Database identifiers
- CAS
27293-94-3- PubChem CID
- 280869
- DTXSID
DTXSID70299828- ChEMBL
CHEMBL3309804- Nikkaji
- J1.834.530G
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 381
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Related reactions
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Compound notes
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