5,7-Dimethyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Basic information
- CAS
689216-68-0- Standard SMILES
Cc1cc(C)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1- InChIKey
LEPGCZIULAGLAN-UHFFFAOYSA-N- Molecular formula
- C15H12F3N3
- Average molar mass
- 291.27 g/mol
- Monoisotopic mass
- 291.09833188
Names & identifiers
- Preferred name
- 5,7-Dimethyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
- IUPAC
- 5,7-dimethyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Names & synonyms
5,7-dimethyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine689216-68-0Maybridge3_001966MLS000708085CHEMBL1470159DTXSID701326686HMS1436J08HMS2671H05STK983775AKOS000552659CCG-240673IDI1_013353
Show more names
SMR000287552ST50024186F3250-0357Z4321020445,7-dimethyl-3-phenyl-2-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidine
Database identifiers
- CAS
689216-68-0- PubChem CID
- 732685
- DTXSID
DTXSID701326686- ChEMBL
CHEMBL1470159
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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