Basic information
- CAS
444792-73-8- Standard SMILES
CCC(=O)N1N=C(c2ccccc2)CC1c1ccc(Br)cc1- InChIKey
IMGMZOMFSCDBCO-UHFFFAOYSA-N- Molecular formula
- C18H17BrN2O
- Average molar mass
- 357.2 g/mol
Names & identifiers
- Preferred name
- 5-(4-bromophenyl)-3-phenyl-1-propionyl-4,5-dihydro-1H-pyrazole
- IUPAC
- 1-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
- English name
- 5-(4-bromophenyl)-3-phenyl-1-propionyl-4,5-dihydro-1H-pyrazole
- Molecular formula
- C18H17BrN2O
- Molecular weight
- 357.24438
Names & synonyms
5-(4-bromophenyl)-3-phenyl-1-propionyl-4,5-dihydro-1H-pyrazole1-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-oneAI-346/15371002
Database identifiers
- CAS
444792-73-8
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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