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

C24H21Cl3N4O — CID 25149435

IUPAC2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C2CC2)o1
InChIInChI=1S/C24H21Cl3N4O/c1-24(2,3)23-29-28-22(32-23)20-19(13-4-5-13)21(14-6-8-15(25)9-7-14)31(30-20)18-11-10-16(26)12-17(18)27/h6-13H,4-5H2,1-3H3
InChIKeyGBGBDDBVJBHFLR-UHFFFAOYSA-N
MW487.82 g/mol
LogP7.72
Rot. Bonds4

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

2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole (PubChem CID 25149435) has the molecular formula C24H21Cl3N4O and a molecular weight of 487.82 g/mol. Its IUPAC name is 2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole
PubChem CID25149435
Molecular FormulaC24H21Cl3N4O
Molecular Weight487.82 g/mol
Exact Mass486.08
IUPAC Name2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C2CC2)o1
InChIInChI=1S/C24H21Cl3N4O/c1-24(2,3)23-29-28-22(32-23)20-19(13-4-5-13)21(14-6-8-15(25)9-7-14)31(30-20)18-11-10-16(26)12-17(18)27/h6-13H,4-5H2,1-3H3
InChIKeyGBGBDDBVJBHFLR-UHFFFAOYSA-N
XLogP7.72
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 ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 25149247
2-tert-butyl-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazol-3-yl]-1,3,4-oxadiazole
CID 25149251
2-(2-butoxypropan-2-yl)-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1,3,4-oxadiazole
CID 66844508
N-tert-butyl-5-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-1,3,4-oxadiazol-2-amine
CID 66844270
2-[1-(2-bromophenyl)-5-(4-chlorophenyl)-4-methylpyrazol-3-yl]-5-tert-butyl-1,3,4-oxadiazole
CID 66844525
2-[5-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3,4-oxadiazole
CID 66844721
2-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazol-3-yl]-5-cyclobutyl-1,3,4-oxadiazole
CID 11996193
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-methylpyrazol-3-yl]-5-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
CID 24954323
2-[5-(4-chlorophenyl)-3-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-(2,4-dichlorophenyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole
CID 45485171

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole (CID 25149435) is 2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole is CC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C2CC2)o1.
What is the InChIKey of 2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is GBGBDDBVJBHFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl3N4O/c1-24(2,3)23-29-28-22(32-23)20-19(13-4-5-13)21(14-6-8-15(25)9-7-14)31(30-20)18-11-10-16(26)12-17(18)27/h6-13H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole?
2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 487.82 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[5-(4-chlorophenyl)-4-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 25149435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).