2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole

C8H6N6O — CID 166001541

IUPAC2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3ccn[nH]3)o2)[nH]n1
InChIInChI=1S/C8H6N6O/c1-3-9-11-5(1)7-13-14-8(15-7)6-2-4-10-12-6/h1-4H,(H,9,11)(H,10,12)
InChIKeyKXUULLXZZHKQCW-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.85
Rot. Bonds2

About 2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole

2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole (PubChem CID 166001541) has the molecular formula C8H6N6O and a molecular weight of 202.18 g/mol. Its IUPAC name is 2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole
PubChem CID166001541
Molecular FormulaC8H6N6O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3ccn[nH]3)o2)[nH]n1
InChIInChI=1S/C8H6N6O/c1-3-9-11-5(1)7-13-14-8(15-7)6-2-4-10-12-6/h1-4H,(H,9,11)(H,10,12)
InChIKeyKXUULLXZZHKQCW-UHFFFAOYSA-N
XLogP0.85
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole (CID 166001541) is 2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole is c1cc(-c2nnc(-c3ccn[nH]3)o2)[nH]n1.
What is the InChIKey of 2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is KXUULLXZZHKQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6O/c1-3-9-11-5(1)7-13-14-8(15-7)6-2-4-10-12-6/h1-4H,(H,9,11)(H,10,12).
What are the key properties of 2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole?
2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 202.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1H-pyrazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 166001541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).