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

C24H16Cl3N5O — CID 24954323

IUPAC2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(Cc3ccccn3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H16Cl3N5O/c1-14-22(24-30-29-21(33-24)13-18-4-2-3-11-28-18)31-32(20-10-9-17(26)12-19(20)27)23(14)15-5-7-16(25)8-6-15/h2-12H,13H2,1H3
InChIKeySXZYRIBWDBBVMU-UHFFFAOYSA-N
MW496.79 g/mol
LogP6.84
Rot. Bonds5

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

2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 24954323) has the molecular formula C24H16Cl3N5O and a molecular weight of 496.79 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
PubChem CID24954323
Molecular FormulaC24H16Cl3N5O
Molecular Weight496.79 g/mol
Exact Mass495.04
IUPAC Name2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(Cc3ccccn3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H16Cl3N5O/c1-14-22(24-30-29-21(33-24)13-18-4-2-3-11-28-18)31-32(20-10-9-17(26)12-19(20)27)23(14)15-5-7-16(25)8-6-15/h2-12H,13H2,1H3
InChIKeySXZYRIBWDBBVMU-UHFFFAOYSA-N
XLogP6.84
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.79
LogP ≤ 56.84
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-2-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole (CID 24954323) is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole is Cc1c(-c2nnc(Cc3ccccn3)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-2-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is SXZYRIBWDBBVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl3N5O/c1-14-22(24-30-29-21(33-24)13-18-4-2-3-11-28-18)31-32(20-10-9-17(26)12-19(20)27)23(14)15-5-7-16(25)8-6-15/h2-12H,13H2,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 496.79 g/mol, XLogP of 6.84, 5 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-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 24954323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).