2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole

C25H14Br2N6O2 — CID 102300786

IUPAC2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(-c3cn(-c4ccccc4)nc3-c3nnc(-c4ccc(Br)cc4)o3)o2)cc1
InChIInChI=1S/C25H14Br2N6O2/c26-17-10-6-15(7-11-17)22-28-30-24(34-22)20-14-33(19-4-2-1-3-5-19)32-21(20)25-31-29-23(35-25)16-8-12-18(27)13-9-16/h1-14H
InChIKeyQHXWMUUTPGBIEY-UHFFFAOYSA-N
MW590.24 g/mol
LogP6.83
Rot. Bonds5

About 2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole

2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole (PubChem CID 102300786) has the molecular formula C25H14Br2N6O2 and a molecular weight of 590.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
PubChem CID102300786
Molecular FormulaC25H14Br2N6O2
Molecular Weight590.24 g/mol
Exact Mass587.95
IUPAC Name2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(-c3cn(-c4ccccc4)nc3-c3nnc(-c4ccc(Br)cc4)o3)o2)cc1
InChIInChI=1S/C25H14Br2N6O2/c26-17-10-6-15(7-11-17)22-28-30-24(34-22)20-14-33(19-4-2-1-3-5-19)32-21(20)25-31-29-23(35-25)16-8-12-18(27)13-9-16/h1-14H
InChIKeyQHXWMUUTPGBIEY-UHFFFAOYSA-N
XLogP6.83
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.24
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-chlorophenyl)-5-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
CID 90643446
3-(4-bromophenyl)-1-phenylpyrazol-4-ol
CID 99938057
2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 687082
2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 6463631
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
1,3,4-triphenylpyrazole
CID 555882
2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 71732963
2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 3475235
(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5399521
2-(benzimidazol-1-ylmethyl)-5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 52936885
4-(4-bromophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole
CID 71732867
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole (CID 102300786) is 2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole is Brc1ccc(-c2nnc(-c3cn(-c4ccccc4)nc3-c3nnc(-c4ccc(Br)cc4)o3)o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is QHXWMUUTPGBIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Br2N6O2/c26-17-10-6-15(7-11-17)22-28-30-24(34-22)20-14-33(19-4-2-1-3-5-19)32-21(20)25-31-29-23(35-25)16-8-12-18(27)13-9-16/h1-14H.
What are the key properties of 2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 590.24 g/mol, XLogP of 6.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 102300786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).