5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole

C14H12F2N6O2 — CID 167895250

IUPAC5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole
SMILESCCOc1cnc(-c2noc(-c3ccn(C4CC4(F)F)n3)n2)cn1
InChIInChI=1S/C14H12F2N6O2/c1-2-23-11-7-17-9(6-18-11)12-19-13(24-21-12)8-3-4-22(20-8)10-5-14(10,15)16/h3-4,6-7,10H,2,5H2,1H3
InChIKeyYQNXFICIFRCXKE-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.37
Rot. Bonds5

About 5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole

5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole (PubChem CID 167895250) has the molecular formula C14H12F2N6O2 and a molecular weight of 334.29 g/mol. Its IUPAC name is 5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole
PubChem CID167895250
Molecular FormulaC14H12F2N6O2
Molecular Weight334.29 g/mol
Exact Mass334.10
IUPAC Name5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole
SMILESCCOc1cnc(-c2noc(-c3ccn(C4CC4(F)F)n3)n2)cn1
InChIInChI=1S/C14H12F2N6O2/c1-2-23-11-7-17-9(6-18-11)12-19-13(24-21-12)8-3-4-22(20-8)10-5-14(10,15)16/h3-4,6-7,10H,2,5H2,1H3
InChIKeyYQNXFICIFRCXKE-UHFFFAOYSA-N
XLogP2.37
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole (CID 167895250) is 5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole is CCOc1cnc(-c2noc(-c3ccn(C4CC4(F)F)n3)n2)cn1.
What is the InChIKey of 5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is YQNXFICIFRCXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N6O2/c1-2-23-11-7-17-9(6-18-11)12-19-13(24-21-12)8-3-4-22(20-8)10-5-14(10,15)16/h3-4,6-7,10H,2,5H2,1H3.
What are the key properties of 5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole?
5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 334.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167895250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).