CID 15956867

5-(2-naphthyl)-n-propyl-1-[3-(trifluoromethyl)-2-pyridyl]pyrazole-3-carboxamide

Structural Information

Molecular Formula
C23H19F3N4O
SMILES
CCCNC(=O)C1=NN(C(=C1)C2=CC3=CC=CC=C3C=C2)C4=C(C=CC=N4)C(F)(F)F
InChI
InChI=1S/C23H19F3N4O/c1-2-11-28-22(31)19-14-20(17-10-9-15-6-3-4-7-16(15)13-17)30(29-19)21-18(23(24,25)26)8-5-12-27-21/h3-10,12-14H,2,11H2,1H3,(H,28,31)
InChIKey
SVUKRDRBDHQOLK-UHFFFAOYSA-N
Compound name
5-naphthalen-2-yl-N-propyl-1-[3-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

424.1511 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.15838 201.6
[M+Na]+ 447.14032 210.9
[M-H]- 423.14382 205.2
[M+NH4]+ 442.18492 209.7
[M+K]+ 463.11426 202.4
[M+H-H2O]+ 407.14836 187.7
[M+HCOO]- 469.14930 217.3
[M+CH3COO]- 483.16495 209.6
[M+Na-2H]- 445.12577 203.9
[M]+ 424.15055 200.8
[M]- 424.15165 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe