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

C22H22N6O2S — CID 55790775

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

(5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 55790775) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is (5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
• PubChem CID: 55790775
• Molecular Formula: C22H22N6O2S
• Molecular Weight: 434.53 g/mol
• Exact Mass: 434.15
• IUPAC Name: (5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)nn1-c1ccccc1
• InChI: InChI=1S/C22H22N6O2S/c1-16-14-18(24-28(16)17-6-3-2-4-7-17)22(29)27-11-9-26(10-12-27)15-20-23-21(25-30-20)19-8-5-13-31-19/h2-8,13-14H,9-12,15H2,1H3
• InChIKey: RQOKJNQTRDGRKM-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 80.29 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.53
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?

The IUPAC name of (5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (CID 55790775) is (5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.

What is the SMILES notation for (5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?

The canonical SMILES for (5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)nn1-c1ccccc1.

What is the InChIKey of (5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?

The InChIKey is RQOKJNQTRDGRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-16-14-18(24-28(16)17-6-3-2-4-7-17)22(29)27-11-9-26(10-12-27)15-20-23-21(25-30-20)19-8-5-13-31-19/h2-8,13-14H,9-12,15H2,1H3.

What are the key properties of (5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?

(5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 434.53 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55790775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).