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

C23H14Cl3N5O — CID 24810789

IUPAC2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccncc3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H14Cl3N5O/c1-13-20(23-29-28-22(32-23)15-8-10-27-11-9-15)30-31(19-7-6-17(25)12-18(19)26)21(13)14-2-4-16(24)5-3-14/h2-12H,1H3
InChIKeyZVWGJIWWOQUJCP-UHFFFAOYSA-N
MW482.76 g/mol
LogP6.92
Rot. Bonds4

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

2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 24810789) has the molecular formula C23H14Cl3N5O and a molecular weight of 482.76 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID24810789
Molecular FormulaC23H14Cl3N5O
Molecular Weight482.76 g/mol
Exact Mass481.03
IUPAC Name2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(-c3ccncc3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H14Cl3N5O/c1-13-20(23-29-28-22(32-23)15-8-10-27-11-9-15)30-31(19-7-6-17(25)12-18(19)26)21(13)14-2-4-16(24)5-3-14/h2-12H,1H3
InChIKeyZVWGJIWWOQUJCP-UHFFFAOYSA-N
XLogP6.92
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.76
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 24810789) is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is Cc1c(-c2nnc(-c3ccncc3)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-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is ZVWGJIWWOQUJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl3N5O/c1-13-20(23-29-28-22(32-23)15-8-10-27-11-9-15)30-31(19-7-6-17(25)12-18(19)26)21(13)14-2-4-16(24)5-3-14/h2-12H,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 482.76 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 24810789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).