7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

HCID 2741014

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

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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