5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole

C13H13F2N7O — CID 167836571

IUPAC5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESFC(F)c1ccnc2cc(-c3nc(N4CCNCC4)no3)nn12
InChIInChI=1S/C13H13F2N7O/c14-11(15)9-1-2-17-10-7-8(19-22(9)10)12-18-13(20-23-12)21-5-3-16-4-6-21/h1-2,7,11,16H,3-6H2
InChIKeyFSTUSLKESZBLBI-UHFFFAOYSA-N
MW321.29 g/mol
LogP1.13
Rot. Bonds3

About 5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole

5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole (PubChem CID 167836571) has the molecular formula C13H13F2N7O and a molecular weight of 321.29 g/mol. Its IUPAC name is 5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole
PubChem CID167836571
Molecular FormulaC13H13F2N7O
Molecular Weight321.29 g/mol
Exact Mass321.11
IUPAC Name5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESFC(F)c1ccnc2cc(-c3nc(N4CCNCC4)no3)nn12
InChIInChI=1S/C13H13F2N7O/c14-11(15)9-1-2-17-10-7-8(19-22(9)10)12-18-13(20-23-12)21-5-3-16-4-6-21/h1-2,7,11,16H,3-6H2
InChIKeyFSTUSLKESZBLBI-UHFFFAOYSA-N
XLogP1.13
TPSA84.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole (CID 167836571) is 5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole is FC(F)c1ccnc2cc(-c3nc(N4CCNCC4)no3)nn12.
What is the InChIKey of 5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The InChIKey is FSTUSLKESZBLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N7O/c14-11(15)9-1-2-17-10-7-8(19-22(9)10)12-18-13(20-23-12)21-5-3-16-4-6-21/h1-2,7,11,16H,3-6H2.
What are the key properties of 5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole?
5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole has a molecular weight of 321.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-piperazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167836571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).