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

C22H15N5O — CID 52936776

IUPAC2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C22H15N5O/c1-3-7-16(8-4-1)20-19(15-27(26-20)18-9-5-2-6-10-18)22-25-24-21(28-22)17-11-13-23-14-12-17/h1-15H
InChIKeyZMVPHFSLFGRDGO-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.65
Rot. Bonds4

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

2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 52936776) has the molecular formula C22H15N5O and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID52936776
Molecular FormulaC22H15N5O
Molecular Weight365.40 g/mol
Exact Mass365.13
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C22H15N5O/c1-3-7-16(8-4-1)20-19(15-27(26-20)18-9-5-2-6-10-18)22-25-24-21(28-22)17-11-13-23-14-12-17/h1-15H
InChIKeyZMVPHFSLFGRDGO-UHFFFAOYSA-N
XLogP4.65
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 52936776) is 2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole is c1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is ZMVPHFSLFGRDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O/c1-3-7-16(8-4-1)20-19(15-27(26-20)18-9-5-2-6-10-18)22-25-24-21(28-22)17-11-13-23-14-12-17/h1-15H.
What are the key properties of 2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 365.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 52936776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).