CID 121552972

5-cyclopropyl-3-(3-fluorophenyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C12H12FN3
SMILES
C1CC1C2=C(C(=NN2)C3=CC(=CC=C3)F)N
InChI
InChI=1S/C12H12FN3/c13-9-3-1-2-8(6-9)12-10(14)11(15-16-12)7-4-5-7/h1-3,6-7H,4-5,14H2,(H,15,16)
InChIKey
YJVQVQYMBOEUMI-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.10153 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10881 150.2
[M+Na]+ 240.09075 163.3
[M+NH4]+ 235.13535 158.2
[M+K]+ 256.06469 160.0
[M-H]- 216.09425 159.8
[M+Na-2H]- 238.07620 159.9
[M]+ 217.10098 155.6
[M]- 217.10208 155.6
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.

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No patent data available for this compound.