About 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide
2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide (PubChem CID 135908501) has the molecular formula C19H21F3N8O
and a molecular weight of 434.43 g/mol. Its IUPAC name is 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide.
Molecular Properties
| Compound Name | 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide |
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| PubChem CID | 135908501 |
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| Molecular Formula | C19H21F3N8O |
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| Molecular Weight | 434.43 g/mol |
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| Exact Mass | 434.18 |
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| IUPAC Name | 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide |
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| SMILES | CC1CN(Cc2cn[nH]c2-c2ncc(C(N)=O)[nH]2)CCN1c1ccc(C(F)(F)F)cn1 |
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| InChI | InChI=1S/C19H21F3N8O/c1-11-9-29(4-5-30(11)15-3-2-13(7-24-15)19(20,21)22)10-12-6-26-28-16(12)18-25-8-14(27-18)17(23)31/h2-3,6-8,11H,4-5,9-10H2,1H3,(H2,23,31)(H,25,27)(H,26,28) |
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| InChIKey | PWJODWZOFNAWSU-UHFFFAOYSA-N |
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| XLogP | 2.02 |
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| TPSA | 119.82 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 31 |
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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 | 434.43 |
| LogP ≤ 5 | 2.02 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide (CID 135908501) is 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide is CC1CN(Cc2cn[nH]c2-c2ncc(C(N)=O)[nH]2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide?
The InChIKey is PWJODWZOFNAWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8O/c1-11-9-29(4-5-30(11)15-3-2-13(7-24-15)19(20,21)22)10-12-6-26-28-16(12)18-25-8-14(27-18)17(23)31/h2-3,6-8,11H,4-5,9-10H2,1H3,(H2,23,31)(H,25,27)(H,26,28).
What are the key properties of 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide?
2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide has a molecular weight of 434.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135908501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).