CID 164120

5-cyano-n-methyl-1-(1-methylcyclopentyl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C12H16N4O
SMILES
CC1(CCCC1)N2C(=C(C=N2)C(=O)NC)C#N
InChI
InChI=1S/C12H16N4O/c1-12(5-3-4-6-12)16-10(7-13)9(8-15-16)11(17)14-2/h8H,3-6H2,1-2H3,(H,14,17)
InChIKey
BFJQPNGTNDRMPP-UHFFFAOYSA-N
Compound name
5-cyano-N-methyl-1-(1-methylcyclopentyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.13242 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.139696 151.9
[M+Na]+ 255.121638 161.0
[M-H]- 231.125144 154.9
[M+NH4]+ 250.166243 169.8
[M+K]+ 271.095578 156.9
[M+H-H2O]+ 215.129680 137.3
[M+HCOO]- 277.130621 169.7
[M+CH3COO]- 291.146271 202.7
[M+Na-2H]- 253.107086 153.1
[M]+ 232.13187142 145.2
[M]- 232.13296858 145.2
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