Basic information
- CAS
331003-57-7- Standard SMILES
O=C(c1ccc(Cl)cc1)N1N=C(C(F)(F)F)CC1(O)c1ccc(Br)cc1- InChIKey
GVFZLMWJZPRSFX-UHFFFAOYSA-N- Molecular formula
- C17H11BrClF3N2O2
- Average molar mass
- 447.6 g/mol
- Monoisotopic mass
- 445.96445
Names & identifiers
- Preferred name
- [5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-chlorophenyl)methanone
- IUPAC
- [5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-chlorophenyl)methanone
- English name
- 5-(4-bromophenyl)-1-(4-chlorobenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- Molecular formula
- C17H11BrClF3N2O2
- Molecular weight
- 447.6336496
Names & synonyms
5-(4-bromophenyl)-1-(4-chlorobenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-olAKOS000608138AKOS024304035[5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-chlorophenyl)methanoneST50223523AG-690/361660555-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)(2-pyrazolinyl) 4-chlorophenyl ketone
Database identifiers
- CAS
331003-57-7- PubChem CID
- 3100408
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 573
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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