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

C24H21Cl3N4O — CID 66844721

IUPAC2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C3CCCCC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1cccc(Cl)c1
InChIInChI=1S/C24H21Cl3N4O/c1-14-21(24-29-28-23(32-24)15-6-3-2-4-7-15)30-31(20-11-10-18(26)13-19(20)27)22(14)16-8-5-9-17(25)12-16/h5,8-13,15H,2-4,6-7H2,1H3
InChIKeyGTLNZWWLAKMAGE-UHFFFAOYSA-N
MW487.82 g/mol
LogP7.91
Rot. Bonds4

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

2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole (PubChem CID 66844721) has the molecular formula C24H21Cl3N4O and a molecular weight of 487.82 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole
PubChem CID66844721
Molecular FormulaC24H21Cl3N4O
Molecular Weight487.82 g/mol
Exact Mass486.08
IUPAC Name2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C3CCCCC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1cccc(Cl)c1
InChIInChI=1S/C24H21Cl3N4O/c1-14-21(24-29-28-23(32-24)15-6-3-2-4-7-15)30-31(20-11-10-18(26)13-19(20)27)22(14)16-8-5-9-17(25)12-16/h5,8-13,15H,2-4,6-7H2,1H3
InChIKeyGTLNZWWLAKMAGE-UHFFFAOYSA-N
XLogP7.91
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.82
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole (CID 66844721) is 2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole is Cc1c(-c2nnc(C3CCCCC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole?
The InChIKey is GTLNZWWLAKMAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl3N4O/c1-14-21(24-29-28-23(32-24)15-6-3-2-4-7-15)30-31(20-11-10-18(26)13-19(20)27)22(14)16-8-5-9-17(25)12-16/h5,8-13,15H,2-4,6-7H2,1H3.
What are the key properties of 2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole?
2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole has a molecular weight of 487.82 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole is sourced from PubChem (CID 66844721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).