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]+ 169.108376 137.3
[M+Na]+ 191.090318 144.9
[M-H]- 167.093824 136.8
[M+NH4]+ 186.134923 155.3
[M+K]+ 207.064258 142.7
[M+H-H2O]+ 151.098360 130.3
[M+HCOO]- 213.099301 158.3
[M+CH3COO]- 227.114951 182.1
[M+Na-2H]- 189.075766 138.4
[M]+ 168.10055142 133.0
[M]- 168.10164858 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