CID 66425921

1-(4-chlorophenyl)-5-(propan-2-yl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C12H14ClN3
SMILES
CC(C)C1=C(C=NN1C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C12H14ClN3/c1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10/h3-8H,14H2,1-2H3
InChIKey
NSXXGZDMFOQCMU-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

235.08763 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09491 151.9
[M+Na]+ 258.07685 165.8
[M+NH4]+ 253.12145 160.3
[M+K]+ 274.05079 160.4
[M-H]- 234.08035 155.4
[M+Na-2H]- 256.06230 159.5
[M]+ 235.08708 155.1
[M]- 235.08818 155.1
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