3-Benzyl-5-(4-chlorophenyl)-1,4-diphenyl-1h-pyrazole
Basic information
- CAS
27301-50-4- Standard SMILES
Clc1ccc(-c2c(-c3ccccc3)c(Cc3ccccc3)nn2-c2ccccc2)cc1- InChIKey
QSPDBEJYYVXLTI-UHFFFAOYSA-N- Molecular formula
- C28H21ClN2
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 420.1393264
Names & identifiers
- Preferred name
- 3-Benzyl-5-(4-chlorophenyl)-1,4-diphenyl-1h-pyrazole
- IUPAC
- 3-benzyl-5-(4-chlorophenyl)-1,4-diphenylpyrazole
Names & synonyms
27301-50-43-benzyl-5-(4-chlorophenyl)-1,4-diphenyl-1h-pyrazoleNSC1330845147-40-0DTXSID90950025NSC-133084
Database identifiers
- CAS
27301-50-4- PubChem CID
- 280874
- DTXSID
DTXSID90950025
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 527
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Compound notes
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