2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole

C23H15N5O3 — CID 46934258

IUPAC2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H15N5O3/c29-28(30)19-13-11-16(12-14-19)21-20(15-27(26-21)18-9-5-2-6-10-18)23-25-24-22(31-23)17-7-3-1-4-8-17/h1-15H
InChIKeyDIZPXIPTIAFZLP-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.16
Rot. Bonds5

About 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole

2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 46934258) has the molecular formula C23H15N5O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID46934258
Molecular FormulaC23H15N5O3
Molecular Weight409.41 g/mol
Exact Mass409.12
IUPAC Name2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H15N5O3/c29-28(30)19-13-11-16(12-14-19)21-20(15-27(26-21)18-9-5-2-6-10-18)23-25-24-22(31-23)17-7-3-1-4-8-17/h1-15H
InChIKeyDIZPXIPTIAFZLP-UHFFFAOYSA-N
XLogP5.16
TPSA99.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-diphenyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-amine
CID 702070
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
CID 2108242
2-(3-nitrophenyl)-2-oxoethyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
CID 3134984
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
CID 6900119
2-[3-(4-Nitrophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 90643435
1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide
CID 41450642
2-(1,3-Diphenyl-1H-pyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
CID 46934113
2-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934114
2-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934115
2-(4-Chlorophenyl)-5-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
CID 90643436
2-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 90643437
2-(4-Chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
CID 90643439

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole (CID 46934258) is 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole is O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is DIZPXIPTIAFZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O3/c29-28(30)19-13-11-16(12-14-19)21-20(15-27(26-21)18-9-5-2-6-10-18)23-25-24-22(31-23)17-7-3-1-4-8-17/h1-15H.
What are the key properties of 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 409.41 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 46934258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).