About [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone (PubChem CID 75270183) has the molecular formula C26H31N5O2S
and a molecular weight of 477.63 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone.
Molecular Properties
| Compound Name | [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone |
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| PubChem CID | 75270183 |
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| Molecular Formula | C26H31N5O2S |
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| Molecular Weight | 477.63 g/mol |
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| Exact Mass | 477.22 |
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| IUPAC Name | [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone |
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| SMILES | COc1ccc(N2CCN(C(=O)C3CC(c4sc(-c5cccc(C)c5)nc4C)NN3)CC2)cc1 |
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| InChI | InChI=1S/C26H31N5O2S/c1-17-5-4-6-19(15-17)25-27-18(2)24(34-25)22-16-23(29-28-22)26(32)31-13-11-30(12-14-31)20-7-9-21(33-3)10-8-20/h4-10,15,22-23,28-29H,11-14,16H2,1-3H3 |
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| InChIKey | VFCVANHPMXIPPZ-UHFFFAOYSA-N |
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| XLogP | 3.69 |
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| TPSA | 69.73 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 477.63 |
| LogP ≤ 5 | 3.69 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone (CID 75270183) is [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone is COc1ccc(N2CCN(C(=O)C3CC(c4sc(-c5cccc(C)c5)nc4C)NN3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone?
The InChIKey is VFCVANHPMXIPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2S/c1-17-5-4-6-19(15-17)25-27-18(2)24(34-25)22-16-23(29-28-22)26(32)31-13-11-30(12-14-31)20-7-9-21(33-3)10-8-20/h4-10,15,22-23,28-29H,11-14,16H2,1-3H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone has a molecular weight of 477.63 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-[5-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]pyrazolidin-3-yl]methanone is sourced from PubChem (CID 75270183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).