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

C28H20Cl4N4O — CID 66844002

IUPAC2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole
SMILESCCc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C28H20Cl4N4O/c1-2-21-24(26-33-34-27(37-26)28(13-14-28)17-5-9-19(30)10-6-17)35-36(23-12-11-20(31)15-22(23)32)25(21)16-3-7-18(29)8-4-16/h3-12,15H,2,13-14H2,1H3
InChIKeyNQYCNMHKBANOKL-UHFFFAOYSA-N
MW570.31 g/mol
LogP8.85
Rot. Bonds6

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

2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole (PubChem CID 66844002) has the molecular formula C28H20Cl4N4O and a molecular weight of 570.31 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole
PubChem CID66844002
Molecular FormulaC28H20Cl4N4O
Molecular Weight570.31 g/mol
Exact Mass568.04
IUPAC Name2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole
SMILESCCc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C28H20Cl4N4O/c1-2-21-24(26-33-34-27(37-26)28(13-14-28)17-5-9-19(30)10-6-17)35-36(23-12-11-20(31)15-22(23)32)25(21)16-3-7-18(29)8-4-16/h3-12,15H,2,13-14H2,1H3
InChIKeyNQYCNMHKBANOKL-UHFFFAOYSA-N
XLogP8.85
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.31
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole (CID 66844002) is 2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole is CCc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is NQYCNMHKBANOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl4N4O/c1-2-21-24(26-33-34-27(37-26)28(13-14-28)17-5-9-19(30)10-6-17)35-36(23-12-11-20(31)15-22(23)32)25(21)16-3-7-18(29)8-4-16/h3-12,15H,2,13-14H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole?
2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 570.31 g/mol, XLogP of 8.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)cyclopropyl]-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 66844002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).