CID 3070851

1h-pyrazole-3-carboxamide, 4-amino-5-methyl-n-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C12H11F3N4O
SMILES
CC1=C(C(=NN1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C12H11F3N4O/c1-6-9(16)10(19-18-6)11(20)17-8-4-2-3-7(5-8)12(13,14)15/h2-5H,16H2,1H3,(H,17,20)(H,18,19)
InChIKey
COCHDYGACKQXJW-UHFFFAOYSA-N
Compound name
4-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0885 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.095776 159.7
[M+Na]+ 307.077718 168.3
[M-H]- 283.081224 159.2
[M+NH4]+ 302.122323 173.3
[M+K]+ 323.051658 163.1
[M+H-H2O]+ 267.085760 149.3
[M+HCOO]- 329.086701 177.5
[M+CH3COO]- 343.102351 201.0
[M+Na-2H]- 305.063166 161.7
[M]+ 284.08795142 152.9
[M]- 284.08904858 152.9
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

No patent data available for this compound.