About 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91894044) has the molecular formula C24H18ClFN4O3
and a molecular weight of 464.88 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one.
Molecular Properties
| Compound Name | 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one |
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| PubChem CID | 91894044 |
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| Molecular Formula | C24H18ClFN4O3 |
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| Molecular Weight | 464.88 g/mol |
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| Exact Mass | 464.11 |
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| IUPAC Name | 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one |
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| SMILES | Cc1oc(-c2ccccc2Cl)nc1Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O |
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| InChI | InChI=1S/C24H18ClFN4O3/c1-14-20(27-23(33-14)17-7-2-3-8-19(17)25)12-29-9-10-30-22(24(29)32)18(13-31)21(28-30)15-5-4-6-16(26)11-15/h2-11,31H,12-13H2,1H3 |
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| InChIKey | WBOTUMMGPSCCGO-UHFFFAOYSA-N |
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| XLogP | 4.46 |
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| TPSA | 85.56 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 33 |
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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 | 464.88 |
| LogP ≤ 5 | 4.46 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one (CID 91894044) is 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one is Cc1oc(-c2ccccc2Cl)nc1Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O.
What is the InChIKey of 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WBOTUMMGPSCCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O3/c1-14-20(27-23(33-14)17-7-2-3-8-19(17)25)12-29-9-10-30-22(24(29)32)18(13-31)21(28-30)15-5-4-6-16(26)11-15/h2-11,31H,12-13H2,1H3.
What are the key properties of 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 464.88 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91894044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).