CID 16099749

4-amino-3-(propan-2-yl)-1h-pyrazole-5-carboxamide

Structural Information

Molecular Formula
C7H12N4O
SMILES
CC(C)C1=C(C(=NN1)C(=O)N)N
InChI
InChI=1S/C7H12N4O/c1-3(2)5-4(8)6(7(9)12)11-10-5/h3H,8H2,1-2H3,(H2,9,12)(H,10,11)
InChIKey
NTTYFNYUOSGCLO-UHFFFAOYSA-N
Compound name
4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

168.1011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 137.3
[M+Na]+ 191.09032 144.9
[M-H]- 167.09382 136.8
[M+NH4]+ 186.13492 155.3
[M+K]+ 207.06426 142.7
[M+H-H2O]+ 151.09836 130.3
[M+HCOO]- 213.09930 158.3
[M+CH3COO]- 227.11495 182.1
[M+Na-2H]- 189.07577 138.4
[M]+ 168.10055 133.0
[M]- 168.10165 133.0
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