5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole

C15H10Cl3F3N4O — CID 19326638

IUPAC5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCc1nc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C15H10Cl3F3N4O/c1-7-12(18)13(15(19,20)21)23-25(7)5-4-11-22-14(24-26-11)9-3-2-8(16)6-10(9)17/h2-3,6H,4-5H2,1H3
InChIKeyDNTLBIGYJAYRTL-UHFFFAOYSA-N
MW425.63 g/mol
LogP5.46
Rot. Bonds4

About 5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole

5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 19326638) has the molecular formula C15H10Cl3F3N4O and a molecular weight of 425.63 g/mol. Its IUPAC name is 5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID19326638
Molecular FormulaC15H10Cl3F3N4O
Molecular Weight425.63 g/mol
Exact Mass423.99
IUPAC Name5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCc1nc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C15H10Cl3F3N4O/c1-7-12(18)13(15(19,20)21)23-25(7)5-4-11-22-14(24-26-11)9-3-2-8(16)6-10(9)17/h2-3,6H,4-5H2,1H3
InChIKeyDNTLBIGYJAYRTL-UHFFFAOYSA-N
XLogP5.46
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.63
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326587
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332620
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 19326469
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 19324521
2-[5-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentyl]isoindole-1,3-dione
CID 19326552
3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 19326529
3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326466
5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19330336
3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole
CID 19326477
3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 62945973
5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326681

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (CID 19326638) is 5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is Cc1c(Cl)c(C(F)(F)F)nn1CCc1nc(-c2ccc(Cl)cc2Cl)no1.
What is the InChIKey of 5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is DNTLBIGYJAYRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3F3N4O/c1-7-12(18)13(15(19,20)21)23-25(7)5-4-11-22-14(24-26-11)9-3-2-8(16)6-10(9)17/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 425.63 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).