About 3,5-dimethyl-4-nitroso-1-phenylpyrazole
3,5-dimethyl-4-nitroso-1-phenylpyrazole (PubChem CID 12853) has the molecular formula C11H11N3O
and a molecular weight of 201.23 g/mol. Its IUPAC name is 3,5-dimethyl-4-nitroso-1-phenylpyrazole.
Molecular Properties
| Compound Name | 3,5-dimethyl-4-nitroso-1-phenylpyrazole |
|---|
| PubChem CID | 12853 |
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| Molecular Formula | C11H11N3O |
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| Molecular Weight | 201.23 g/mol |
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| Exact Mass | 201.09 |
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| IUPAC Name | 3,5-dimethyl-4-nitroso-1-phenylpyrazole |
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| SMILES | Cc1nn(-c2ccccc2)c(C)c1N=O |
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| InChI | InChI=1S/C11H11N3O/c1-8-11(13-15)9(2)14(12-8)10-6-4-3-5-7-10/h3-7H,1-2H3 |
|---|
| InChIKey | SCHFUNOUOHIHSX-UHFFFAOYSA-N |
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| XLogP | 2.89 |
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| TPSA | 47.25 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 201.23 |
| LogP ≤ 5 | 2.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 3,5-dimethyl-4-nitroso-1-phenylpyrazole?
The IUPAC name of 3,5-dimethyl-4-nitroso-1-phenylpyrazole (CID 12853) is 3,5-dimethyl-4-nitroso-1-phenylpyrazole.
What is the SMILES notation for 3,5-dimethyl-4-nitroso-1-phenylpyrazole?
The canonical SMILES for 3,5-dimethyl-4-nitroso-1-phenylpyrazole is Cc1nn(-c2ccccc2)c(C)c1N=O.
What is the InChIKey of 3,5-dimethyl-4-nitroso-1-phenylpyrazole?
The InChIKey is SCHFUNOUOHIHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-11(13-15)9(2)14(12-8)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 3,5-dimethyl-4-nitroso-1-phenylpyrazole?
3,5-dimethyl-4-nitroso-1-phenylpyrazole has a molecular weight of 201.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-nitroso-1-phenylpyrazole is sourced from PubChem (CID 12853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).