About 2,2-dimethylpropane;1-methylpyrazole
2,2-dimethylpropane;1-methylpyrazole (PubChem CID 159902213) has the molecular formula C9H18N2
and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,2-dimethylpropane;1-methylpyrazole.
Molecular Properties
| Compound Name | 2,2-dimethylpropane;1-methylpyrazole |
|---|
| PubChem CID | 159902213 |
|---|
| Molecular Formula | C9H18N2 |
|---|
| Molecular Weight | 154.26 g/mol |
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| Exact Mass | 154.15 |
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| IUPAC Name | 2,2-dimethylpropane;1-methylpyrazole |
|---|
| SMILES | CC(C)(C)C.Cn1cccn1 |
|---|
| InChI | InChI=1S/C5H12.C4H6N2/c1-5(2,3)4;1-6-4-2-3-5-6/h1-4H3;2-4H,1H3 |
|---|
| InChIKey | NWCKUGFRPHBEAW-UHFFFAOYSA-N |
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| XLogP | 2.47 |
|---|
| TPSA | 17.82 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 154.26 |
| LogP ≤ 5 | 2.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,2-dimethylpropane;1-methylpyrazole?
The IUPAC name of 2,2-dimethylpropane;1-methylpyrazole (CID 159902213) is 2,2-dimethylpropane;1-methylpyrazole.
What is the SMILES notation for 2,2-dimethylpropane;1-methylpyrazole?
The canonical SMILES for 2,2-dimethylpropane;1-methylpyrazole is CC(C)(C)C.Cn1cccn1.
What is the InChIKey of 2,2-dimethylpropane;1-methylpyrazole?
The InChIKey is NWCKUGFRPHBEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H6N2/c1-5(2,3)4;1-6-4-2-3-5-6/h1-4H3;2-4H,1H3.
What are the key properties of 2,2-dimethylpropane;1-methylpyrazole?
2,2-dimethylpropane;1-methylpyrazole has a molecular weight of 154.26 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;1-methylpyrazole is sourced from PubChem (CID 159902213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).