3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole

C23H18Cl3F3N4O — CID 87692804

IUPAC3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole
SMILESCCc1c(N2COC(C3(C(F)(F)F)CC3)=N2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3F3N4O/c1-2-16-19(13-3-5-14(24)6-4-13)33(18-8-7-15(25)11-17(18)26)30-20(16)32-12-34-21(31-32)22(9-10-22)23(27,28)29/h3-8,11H,2,9-10,12H2,1H3
InChIKeySBXLXSNGFUVOHV-UHFFFAOYSA-N
MW529.78 g/mol
LogP7.51
Rot. Bonds5

About 3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole

3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole (PubChem CID 87692804) has the molecular formula C23H18Cl3F3N4O and a molecular weight of 529.78 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole
PubChem CID87692804
Molecular FormulaC23H18Cl3F3N4O
Molecular Weight529.78 g/mol
Exact Mass528.05
IUPAC Name3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole
SMILESCCc1c(N2COC(C3(C(F)(F)F)CC3)=N2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3F3N4O/c1-2-16-19(13-3-5-14(24)6-4-13)33(18-8-7-15(25)11-17(18)26)30-20(16)32-12-34-21(31-32)22(9-10-22)23(27,28)29/h3-8,11H,2,9-10,12H2,1H3
InChIKeySBXLXSNGFUVOHV-UHFFFAOYSA-N
XLogP7.51
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.78
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylsulfanylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole
CID 45256051
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole
CID 45486114
2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole
CID 66844002
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
CID 66844119
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole
CID 87176683
2-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfonylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole
CID 58361089
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylsulfonylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-thiadiazole
CID 58361096
[1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methylphenyl)pyrazol-3-yl] ethaneperoxoate
CID 175736151
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2,2,2-trifluoroethanone
CID 71654208
methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(fluoromethyl)pyrazole-3-carboxylate
CID 19356254
2-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-cyclobutyl-1,3,4-oxadiazole
CID 11996193
2-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-pentan-3-yl-1,3,4-oxadiazole
CID 66844365

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole?
The IUPAC name of 3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole (CID 87692804) is 3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole is CCc1c(N2COC(C3(C(F)(F)F)CC3)=N2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole?
The InChIKey is SBXLXSNGFUVOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3F3N4O/c1-2-16-19(13-3-5-14(24)6-4-13)33(18-8-7-15(25)11-17(18)26)30-20(16)32-12-34-21(31-32)22(9-10-22)23(27,28)29/h3-8,11H,2,9-10,12H2,1H3.
What are the key properties of 3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole?
3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole has a molecular weight of 529.78 g/mol, XLogP of 7.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2H-1,3,4-oxadiazole is sourced from PubChem (CID 87692804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).