About 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one
2,5-dimethylpyrazolo[4,3-c]pyridin-4-one (PubChem CID 142346308) has the molecular formula C8H9N3O
and a molecular weight of 163.18 g/mol. Its IUPAC name is 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one.
Molecular Properties
| Compound Name | 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one |
|---|
| PubChem CID | 142346308 |
|---|
| Molecular Formula | C8H9N3O |
|---|
| Molecular Weight | 163.18 g/mol |
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| Exact Mass | 163.07 |
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| IUPAC Name | 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one |
|---|
| SMILES | Cn1cc2c(=O)n(C)ccc2n1 |
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| InChI | InChI=1S/C8H9N3O/c1-10-4-3-7-6(8(10)12)5-11(2)9-7/h3-5H,1-2H3 |
|---|
| InChIKey | BAXAOJJIDGNSBG-UHFFFAOYSA-N |
|---|
| XLogP | 0.27 |
|---|
| TPSA | 39.82 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 163.18 |
| LogP ≤ 5 | 0.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one (CID 142346308) is 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one is Cn1cc2c(=O)n(C)ccc2n1.
What is the InChIKey of 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
The InChIKey is BAXAOJJIDGNSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-10-4-3-7-6(8(10)12)5-11(2)9-7/h3-5H,1-2H3.
What are the key properties of 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
2,5-dimethylpyrazolo[4,3-c]pyridin-4-one has a molecular weight of 163.18 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 142346308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).