CID 4776201

7-(1-ethyl-5-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C13H13N5O2
SMILES
CCN1C(=C(C=N1)C2=CC=NC3=CC(=NN23)C(=O)O)C
InChI
InChI=1S/C13H13N5O2/c1-3-17-8(2)9(7-15-17)11-4-5-14-12-6-10(13(19)20)16-18(11)12/h4-7H,3H2,1-2H3,(H,19,20)
InChIKey
RLWZHDCIBUFLMD-UHFFFAOYSA-N
Compound name
7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

271.10693 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11421 160.8
[M+Na]+ 294.09615 174.3
[M+NH4]+ 289.14075 166.2
[M+K]+ 310.07009 173.2
[M-H]- 270.09965 160.7
[M+Na-2H]- 292.08160 166.1
[M]+ 271.10638 162.5
[M]- 271.10748 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.