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

C24H16Cl2N4O — CID 72947286

IUPAC2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccc(Cl)cc3)o2)c(-c2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C24H16Cl2N4O/c1-15-21(24-28-27-23(31-24)17-9-13-19(26)14-10-17)22(16-7-11-18(25)12-8-16)29-30(15)20-5-3-2-4-6-20/h2-14H,1H3
InChIKeyMCBVXOYYHLEOIZ-UHFFFAOYSA-N
MW447.33 g/mol
LogP6.87
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole (PubChem CID 72947286) has the molecular formula C24H16Cl2N4O and a molecular weight of 447.33 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
PubChem CID72947286
Molecular FormulaC24H16Cl2N4O
Molecular Weight447.33 g/mol
Exact Mass446.07
IUPAC Name2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccc(Cl)cc3)o2)c(-c2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C24H16Cl2N4O/c1-15-21(24-28-27-23(31-24)17-9-13-19(26)14-10-17)22(16-7-11-18(25)12-8-16)29-30(15)20-5-3-2-4-6-20/h2-14H,1H3
InChIKeyMCBVXOYYHLEOIZ-UHFFFAOYSA-N
XLogP6.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.33
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole (CID 72947286) is 2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole is Cc1c(-c2nnc(-c3ccc(Cl)cc3)o2)c(-c2ccc(Cl)cc2)nn1-c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is MCBVXOYYHLEOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O/c1-15-21(24-28-27-23(31-24)17-9-13-19(26)14-10-17)22(16-7-11-18(25)12-8-16)29-30(15)20-5-3-2-4-6-20/h2-14H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 447.33 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[3-(4-chlorophenyl)-5-methyl-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 72947286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).