About [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
[7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 46079711) has the molecular formula C32H28F3N5O2
and a molecular weight of 571.60 g/mol. Its IUPAC name is [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
Molecular Properties
| Compound Name | [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone |
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| PubChem CID | 46079711 |
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| Molecular Formula | C32H28F3N5O2 |
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| Molecular Weight | 571.60 g/mol |
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| Exact Mass | 571.22 |
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| IUPAC Name | [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone |
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| SMILES | COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc3c(-c4ccccc4)c(C)nn23)cc1 |
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| InChI | InChI=1S/C32H28F3N5O2/c1-21-29(23-7-4-3-5-8-23)30-36-27(20-28(40(30)37-21)22-11-13-26(42-2)14-12-22)31(41)39-17-15-38(16-18-39)25-10-6-9-24(19-25)32(33,34)35/h3-14,19-20H,15-18H2,1-2H3 |
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| InChIKey | WIIMVKWLHNBDRZ-UHFFFAOYSA-N |
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| XLogP | 6.36 |
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| TPSA | 62.97 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 571.60 |
| LogP ≤ 5 | 6.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 46079711) is [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc3c(-c4ccccc4)c(C)nn23)cc1.
What is the InChIKey of [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is WIIMVKWLHNBDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N5O2/c1-21-29(23-7-4-3-5-8-23)30-36-27(20-28(40(30)37-21)22-11-13-26(42-2)14-12-22)31(41)39-17-15-38(16-18-39)25-10-6-9-24(19-25)32(33,34)35/h3-14,19-20H,15-18H2,1-2H3.
What are the key properties of [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 571.60 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-methoxyphenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46079711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).