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

C21H17Cl3N4O — CID 11995767

IUPAC2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl3N4O/c1-11(2)20-25-26-21(29-20)18-12(3)19(13-4-6-14(22)7-5-13)28(27-18)17-9-8-15(23)10-16(17)24/h4-11H,1-3H3
InChIKeyXBLIMDBQZCDRMM-UHFFFAOYSA-N
MW447.75 g/mol
LogP6.98
Rot. Bonds4

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

2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 11995767) has the molecular formula C21H17Cl3N4O and a molecular weight of 447.75 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID11995767
Molecular FormulaC21H17Cl3N4O
Molecular Weight447.75 g/mol
Exact Mass446.05
IUPAC Name2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl3N4O/c1-11(2)20-25-26-21(29-20)18-12(3)19(13-4-6-14(22)7-5-13)28(27-18)17-9-8-15(23)10-16(17)24/h4-11H,1-3H3
InChIKeyXBLIMDBQZCDRMM-UHFFFAOYSA-N
XLogP6.98
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.75
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1h-pyrazol-3-yl)-1,3,4-oxadiazole
CID 11995766
2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentan-3-yl-1,3,4-oxadiazole
CID 11995769
2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole
CID 11995771
2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole
CID 24762237
2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 24810043
2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 24810044
2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole
CID 24810484
2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 24810789
2-Butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1h-pyrazol-3-yl)-1,3,4-oxadiazole
CID 24954319
2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclobutyl-1,3,4-oxadiazole
CID 24954322
2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
CID 24954323
2-Benzyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1h-pyrazol-3-yl)-1,3,4-oxadiazole
CID 24954324

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 11995767) is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole is Cc1c(-c2nnc(C(C)C)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-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is XBLIMDBQZCDRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N4O/c1-11(2)20-25-26-21(29-20)18-12(3)19(13-4-6-14(22)7-5-13)28(27-18)17-9-8-15(23)10-16(17)24/h4-11H,1-3H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 447.75 g/mol, XLogP of 6.98, 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-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 11995767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).