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

C23H15ClN4O — CID 46934114

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H15ClN4O/c24-18-13-11-16(12-14-18)21-20(15-28(27-21)19-9-5-2-6-10-19)23-26-25-22(29-23)17-7-3-1-4-8-17/h1-15H
InChIKeyKVVMAYJPPJIIFO-UHFFFAOYSA-N
MW398.85 g/mol
LogP5.91
Rot. Bonds4

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

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 46934114) has the molecular formula C23H15ClN4O and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID46934114
Molecular FormulaC23H15ClN4O
Molecular Weight398.85 g/mol
Exact Mass398.09
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H15ClN4O/c24-18-13-11-16(12-14-18)21-20(15-28(27-21)19-9-5-2-6-10-19)23-26-25-22(29-23)17-7-3-1-4-8-17/h1-15H
InChIKeyKVVMAYJPPJIIFO-UHFFFAOYSA-N
XLogP5.91
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.85
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole (CID 46934114) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole is Clc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is KVVMAYJPPJIIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O/c24-18-13-11-16(12-14-18)21-20(15-28(27-21)19-9-5-2-6-10-19)23-26-25-22(29-23)17-7-3-1-4-8-17/h1-15H.
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 398.85 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 46934114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).