About 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide
3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide (PubChem CID 54765675) has the molecular formula C29H30FN3O4
and a molecular weight of 503.57 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide.
Molecular Properties
| Compound Name | 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide |
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| PubChem CID | 54765675 |
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| Molecular Formula | C29H30FN3O4 |
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| Molecular Weight | 503.57 g/mol |
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| Exact Mass | 503.22 |
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| IUPAC Name | 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide |
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| SMILES | COc1ccc(-n2nc(CCC(=O)NC(CO)c3ccc(OC)c(C)c3)cc2-c2cccc(F)c2)cc1 |
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| InChI | InChI=1S/C29H30FN3O4/c1-19-15-20(7-13-28(19)37-3)26(18-34)31-29(35)14-8-23-17-27(21-5-4-6-22(30)16-21)33(32-23)24-9-11-25(36-2)12-10-24/h4-7,9-13,15-17,26,34H,8,14,18H2,1-3H3,(H,31,35) |
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| InChIKey | ROZDKMLIQPAKBS-UHFFFAOYSA-N |
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| XLogP | 4.79 |
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| TPSA | 85.61 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 503.57 |
| LogP ≤ 5 | 4.79 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide (CID 54765675) is 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide is COc1ccc(-n2nc(CCC(=O)NC(CO)c3ccc(OC)c(C)c3)cc2-c2cccc(F)c2)cc1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide?
The InChIKey is ROZDKMLIQPAKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O4/c1-19-15-20(7-13-28(19)37-3)26(18-34)31-29(35)14-8-23-17-27(21-5-4-6-22(30)16-21)33(32-23)24-9-11-25(36-2)12-10-24/h4-7,9-13,15-17,26,34H,8,14,18H2,1-3H3,(H,31,35).
What are the key properties of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide?
3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide has a molecular weight of 503.57 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-hydroxy-1-(4-methoxy-3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 54765675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).