About [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 54670469) has the molecular formula C24H22F3N3O4
and a molecular weight of 473.45 g/mol. Its IUPAC name is [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.
Molecular Properties
| Compound Name | [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone |
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| PubChem CID | 54670469 |
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| Molecular Formula | C24H22F3N3O4 |
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| Molecular Weight | 473.45 g/mol |
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| Exact Mass | 473.16 |
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| IUPAC Name | [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone |
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| SMILES | COc1cc(OC(F)(F)F)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C |
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| InChI | InChI=1S/C24H22F3N3O4/c1-29-21-16-5-3-4-6-19(16)34-23(18(21)14-28-29)9-11-30(12-10-23)22(31)17-8-7-15(13-20(17)32-2)33-24(25,26)27/h3-8,13-14H,9-12H2,1-2H3 |
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| InChIKey | GOUQRSKQDUJGDI-UHFFFAOYSA-N |
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| XLogP | 4.52 |
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| TPSA | 65.82 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 3 |
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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 | 473.45 |
| LogP ≤ 5 | 4.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 54670469) is [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is COc1cc(OC(F)(F)F)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C.
What is the InChIKey of [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is GOUQRSKQDUJGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-29-21-16-5-3-4-6-19(16)34-23(18(21)14-28-29)9-11-30(12-10-23)22(31)17-8-7-15(13-20(17)32-2)33-24(25,26)27/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
[2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 473.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(trifluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 54670469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).