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]+ 254.103636 158.2
[M+Na]+ 276.085578 173.0
[M-H]- 252.089084 164.0
[M+NH4]+ 271.130183 167.7
[M+K]+ 292.059518 164.1
[M+H-H2O]+ 236.093620 144.3
[M+HCOO]- 298.094561 178.1
[M+CH3COO]- 312.110211 169.1
[M+Na-2H]- 274.071026 162.8
[M]+ 253.09581142 156.0
[M]- 253.09690858 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