[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone

C23H20Cl2N6O2 — CID 55790901

IUPAC[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C23H20Cl2N6O2/c24-18-3-1-16(2-4-18)22-27-21(33-28-22)15-29-9-11-30(12-10-29)23(32)17-13-26-31(14-17)20-7-5-19(25)6-8-20/h1-8,13-14H,9-12,15H2
InChIKeyRARYQMVOLZPYRI-UHFFFAOYSA-N
MW483.36 g/mol
LogP4.19
Rot. Bonds5

About [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone

[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone (PubChem CID 55790901) has the molecular formula C23H20Cl2N6O2 and a molecular weight of 483.36 g/mol. Its IUPAC name is [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone
PubChem CID55790901
Molecular FormulaC23H20Cl2N6O2
Molecular Weight483.36 g/mol
Exact Mass482.10
IUPAC Name[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C23H20Cl2N6O2/c24-18-3-1-16(2-4-18)22-27-21(33-28-22)15-29-9-11-30(12-10-29)23(32)17-13-26-31(14-17)20-7-5-19(25)6-8-20/h1-8,13-14H,9-12,15H2
InChIKeyRARYQMVOLZPYRI-UHFFFAOYSA-N
XLogP4.19
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone?
The IUPAC name of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone (CID 55790901) is [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone is O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone?
The InChIKey is RARYQMVOLZPYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O2/c24-18-3-1-16(2-4-18)22-27-21(33-28-22)15-29-9-11-30(12-10-29)23(32)17-13-26-31(14-17)20-7-5-19(25)6-8-20/h1-8,13-14H,9-12,15H2.
What are the key properties of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone?
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone has a molecular weight of 483.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 55790901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).