CID 175786

1h-pyrazole-4-carboxamide, 5-cyano-n-cyclopropyl-1-(2-pyridinyl)-

Structural Information

Molecular Formula
C13H11N5O
SMILES
C1CC1NC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C#N
InChI
InChI=1S/C13H11N5O/c14-7-11-10(13(19)17-9-4-5-9)8-16-18(11)12-3-1-2-6-15-12/h1-3,6,8-9H,4-5H2,(H,17,19)
InChIKey
SJJCZOKTXYGBEK-UHFFFAOYSA-N
Compound name
5-cyano-N-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.09636 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10364 158.2
[M+Na]+ 276.08558 173.0
[M-H]- 252.08908 164.0
[M+NH4]+ 271.13018 167.7
[M+K]+ 292.05952 164.1
[M+H-H2O]+ 236.09362 144.3
[M+HCOO]- 298.09456 178.1
[M+CH3COO]- 312.11021 169.1
[M+Na-2H]- 274.07103 162.8
[M]+ 253.09581 156.0
[M]- 253.09691 156.0
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