About 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 121365101) has the molecular formula C26H24F3N5O3
and a molecular weight of 511.50 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.
Molecular Properties
| Compound Name | 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide |
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| PubChem CID | 121365101 |
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| Molecular Formula | C26H24F3N5O3 |
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| Molecular Weight | 511.50 g/mol |
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| Exact Mass | 511.18 |
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| IUPAC Name | 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide |
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| SMILES | COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccnc1C(F)(F)F |
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| InChI | InChI=1S/C26H24F3N5O3/c1-37-17-22-21(25(36)31-13-20-5-4-11-30-24(20)26(27,28)29)16-34(32-22)15-19-9-7-18(8-10-19)14-33-12-3-2-6-23(33)35/h2-12,16H,13-15,17H2,1H3,(H,31,36) |
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| InChIKey | ULAOQOFMZICMAA-UHFFFAOYSA-N |
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| XLogP | 3.63 |
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| TPSA | 91.04 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 9 |
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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 | 511.50 |
| LogP ≤ 5 | 3.63 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (CID 121365101) is 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cccnc1C(F)(F)F.
What is the InChIKey of 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is ULAOQOFMZICMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-37-17-22-21(25(36)31-13-20-5-4-11-30-24(20)26(27,28)29)16-34(32-22)15-19-9-7-18(8-10-19)14-33-12-3-2-6-23(33)35/h2-12,16H,13-15,17H2,1H3,(H,31,36).
What are the key properties of 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 511.50 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121365101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).