CID 3133754

3-chloro-n-cyclohexyl-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

Structural Information

Molecular Formula
C18H20ClF3N4OS
SMILES
C1CCC(CC1)NC(=O)C2=NN3C(CC(NC3=C2Cl)C4=CC=CS4)C(F)(F)F
InChI
InChI=1S/C18H20ClF3N4OS/c19-14-15(17(27)23-10-5-2-1-3-6-10)25-26-13(18(20,21)22)9-11(24-16(14)26)12-7-4-8-28-12/h4,7-8,10-11,13,24H,1-3,5-6,9H2,(H,23,27)
InChIKey
QGXLRPBMOJPXQK-UHFFFAOYSA-N
Compound name
3-chloro-N-cyclohexyl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

432.09985 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.10713 189.8
[M+Na]+ 455.08907 196.4
[M+NH4]+ 450.13367 194.4
[M+K]+ 471.06301 193.1
[M-H]- 431.09257 188.3
[M+Na-2H]- 453.07452 192.0
[M]+ 432.09930 190.4
[M]- 432.10040 190.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.