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

C24H15Cl3N4O — CID 24954692

IUPAC2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccccc3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H15Cl3N4O/c1-14-21(24-29-28-23(32-24)16-5-3-2-4-6-16)30-31(20-12-11-18(26)13-19(20)27)22(14)15-7-9-17(25)10-8-15/h2-13H,1H3
InChIKeyCFXXIASVGIPKOS-UHFFFAOYSA-N
MW481.77 g/mol
LogP7.52
Rot. Bonds4

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

2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 24954692) has the molecular formula C24H15Cl3N4O and a molecular weight of 481.77 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID24954692
Molecular FormulaC24H15Cl3N4O
Molecular Weight481.77 g/mol
Exact Mass480.03
IUPAC Name2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccccc3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H15Cl3N4O/c1-14-21(24-29-28-23(32-24)16-5-3-2-4-6-16)30-31(20-12-11-18(26)13-19(20)27)22(14)15-7-9-17(25)10-8-15/h2-13H,1H3
InChIKeyCFXXIASVGIPKOS-UHFFFAOYSA-N
XLogP7.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.77
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole (CID 24954692) is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole is Cc1c(-c2nnc(-c3ccccc3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is CFXXIASVGIPKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl3N4O/c1-14-21(24-29-28-23(32-24)16-5-3-2-4-6-16)30-31(20-12-11-18(26)13-19(20)27)22(14)15-7-9-17(25)10-8-15/h2-13H,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole?
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 481.77 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 24954692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).