CID 3063855

1h-pyrazolecarboxamide, 5-methyl-n-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C12H10F3N3O
SMILES
CC1=CC(=NN1)C(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C12H10F3N3O/c1-7-5-10(18-17-7)11(19)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H,16,19)(H,17,18)
InChIKey
SWDFBDLKPDPYMY-UHFFFAOYSA-N
Compound name
5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.0776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08488 158.8
[M+Na]+ 292.06682 166.7
[M+NH4]+ 287.11142 162.8
[M+K]+ 308.04076 164.2
[M-H]- 268.07032 155.7
[M+Na-2H]- 290.05227 163.0
[M]+ 269.07705 158.5
[M]- 269.07815 158.5
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.