[5-(4-Chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-[5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
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Basic information
- CAS
438230-51-4- Standard SMILES
CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4N=C(c5ccc(Cl)cc5)CC4c4ccccc4O)cc3n2)cc1- InChIKey
WDNXNIIIFKRJPX-UHFFFAOYSA-N- Molecular formula
- C32H25ClF3N5O2
- Average molar mass
- 604 g/mol
- Monoisotopic mass
- 603.1648872
Names & identifiers
- Preferred name
- [5-(4-Chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-[5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
- IUPAC
- [5-(4-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-[5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
- English name
- 2-(3-(4-chlorophenyl)-1-{[5-(4-isopropylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-4,5-dihydro-1H-pyrazol-5-yl)phenol
- Molecular formula
- C32H25ClF3N5O2
- Molecular weight
- 604.02
Names & synonyms
[5-(4-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-[5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone[3-(4-chlorophenyl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl}methanone2-(3-(4-chlorophenyl)-1-{[5-(4-isopropylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-4,5-dihydro-1H-pyrazol-5-yl)phenolAK-968/41172007STL403237AKOS003926876438230-51-4Methanone, [3-(4-chlorophenyl)-4,5-dihydro-5-(2-hydroxyphenyl)-1H-pyrazol-1-yl][5-[4-(1-methylethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-
Database identifiers
- CAS
438230-51-4- PubChem CID
- 5062470
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 9.79 · 9.79±0.35(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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