About 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide (PubChem CID 71544185) has the molecular formula C26H27F3N4O2
and a molecular weight of 484.52 g/mol. Its IUPAC name is 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide.
Molecular Properties
| Compound Name | 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide |
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| PubChem CID | 71544185 |
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| Molecular Formula | C26H27F3N4O2 |
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| Molecular Weight | 484.52 g/mol |
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| Exact Mass | 484.21 |
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| IUPAC Name | 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide |
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| SMILES | CC(C)c1[nH]ncc1C(=O)NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1 |
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| InChI | InChI=1S/C26H27F3N4O2/c1-16(2)24-22(15-31-33-24)25(34)32-20-9-6-17(7-10-20)12-18-4-3-5-21(13-18)35-23-11-8-19(14-30-23)26(27,28)29/h3-5,8,11-16,20H,6-7,9-10H2,1-2H3,(H,31,33)(H,32,34)/b17-12- |
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| InChIKey | RLMFCPKFGVWGAW-ATVHPVEESA-N |
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| XLogP | 6.50 |
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| TPSA | 79.90 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 484.52 |
| LogP ≤ 5 | 6.50 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide (CID 71544185) is 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide is CC(C)c1[nH]ncc1C(=O)NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.
What is the InChIKey of 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The InChIKey is RLMFCPKFGVWGAW-ATVHPVEESA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-16(2)24-22(15-31-33-24)25(34)32-20-9-6-17(7-10-20)12-18-4-3-5-21(13-18)35-23-11-8-19(14-30-23)26(27,28)29/h3-5,8,11-16,20H,6-7,9-10H2,1-2H3,(H,31,33)(H,32,34)/b17-12-.
What are the key properties of 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 6.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71544185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).