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

28
Patents

235.08763 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.094906 152.8
[M+Na]+ 258.076848 162.6
[M-H]- 234.080354 157.0
[M+NH4]+ 253.121453 170.5
[M+K]+ 274.050788 157.3
[M+H-H2O]+ 218.084890 145.1
[M+HCOO]- 280.085831 170.7
[M+CH3COO]- 294.101481 193.5
[M+Na-2H]- 256.062296 154.8
[M]+ 235.08708142 153.8
[M]- 235.08817858 153.8
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