Basic information
- CAS
72851-20-8- Standard SMILES
N#Cc1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12- InChIKey
NQUBBTRUCLIRBR-UHFFFAOYSA-N- Molecular formula
- C14H7F3N4
- Average molar mass
- 288.23 g/mol
- Monoisotopic mass
- 288.06228088
Names & identifiers
- Preferred name
- 7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
- IUPAC
- 7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
- English name
- 7-(3-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
- Molecular formula
- C14H7F3N4
- Molecular weight
- 288.23
Names & synonyms
7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile72851-20-87-(3-(Trifluoromethyl)phenyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrileRefChem:310094Maybridge1_007905MLS000860266SCHEMBL3160485CHEMBL1421012HMS563P07DTXSID001157402HMS2786I07CCG-250301
Show more names
7-(3-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrilePyrazolo[1,5-a]pyrimidine-3-carbonitrile, 7-[3-(trifluoromethyl)phenyl]-7-(alpha,alpha,alpha-trifluoro-m-tolyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMR0004610457-(alpha,alpha,alpha-trifluoro-m-tolyl)-pyrazolo[1,5-a]pyrimidine-3-carbonitrile7-(alpha,alpha,alpha-Trifluoro-m-tolyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Database identifiers
- CAS
72851-20-8- PubChem CID
- 2741014
- DTXSID
DTXSID001157402- ChEMBL
CHEMBL1421012- Nikkaji
- J514.996G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
Solubility16.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- -2.17 · -2.17±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
苏州美石生物科技有限公司1173954148q · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
14 records
Compound notes
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