5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Basic information
- CAS
296796-42-4- Standard SMILES
N#Cc1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12- InChIKey
MJGNWUULORTGBF-UHFFFAOYSA-N- Molecular formula
- C14H7F3N4
- Average molar mass
- 288.23 g/mol
- Monoisotopic mass
- 288.06228073
Names & identifiers
- Preferred name
- 5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
- IUPAC
- 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Names & synonyms
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile296796-42-45-Phenyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrileMLS001213082SCHEMBL1009507CHEMBL1462812MJGNWUULORTGBF-UHFFFAOYSA-NDTXSID601326621HMS2828N23STK183286AKOS000560862NCGC00287941-01
Show more names
SMR000514784EU-0048762AB00093179-01AB00093179-07AG-205/11316002AG-205/12759043
Database identifiers
- CAS
296796-42-4- PubChem CID
- 689154
- DTXSID
DTXSID601326621- ChEMBL
CHEMBL1462812
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
Solubility1.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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