2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole

C24H18N4O — CID 72946868

IUPAC2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccccc3)o2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H18N4O/c1-17-21(24-26-25-23(29-24)19-13-7-3-8-14-19)22(18-11-5-2-6-12-18)27-28(17)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyFAASHEWRVGPSGI-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.56
Rot. Bonds4

About 2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole

2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 72946868) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID72946868
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccccc3)o2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H18N4O/c1-17-21(24-26-25-23(29-24)19-13-7-3-8-14-19)22(18-11-5-2-6-12-18)27-28(17)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyFAASHEWRVGPSGI-UHFFFAOYSA-N
XLogP5.56
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole (CID 72946868) is 2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole is Cc1c(-c2nnc(-c3ccccc3)o2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FAASHEWRVGPSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c1-17-21(24-26-25-23(29-24)19-13-7-3-8-14-19)22(18-11-5-2-6-12-18)27-28(17)20-15-9-4-10-16-20/h2-16H,1H3.
What are the key properties of 2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole?
2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 378.44 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-diphenylpyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 72946868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).