About 5-chloro-1H-pyrazolo[4,3-d]pyrimidine
5-chloro-1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 59796947) has the molecular formula C5H3ClN4
and a molecular weight of 154.56 g/mol. Its IUPAC name is 5-chloro-1H-pyrazolo[4,3-d]pyrimidine.
Molecular Properties
| Compound Name | 5-chloro-1H-pyrazolo[4,3-d]pyrimidine |
|---|
| PubChem CID | 59796947 |
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| Molecular Formula | C5H3ClN4 |
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| Molecular Weight | 154.56 g/mol |
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| Exact Mass | 154.00 |
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| IUPAC Name | 5-chloro-1H-pyrazolo[4,3-d]pyrimidine |
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| SMILES | Clc1ncc2[nH]ncc2n1 |
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| InChI | InChI=1S/C5H3ClN4/c6-5-7-1-4-3(9-5)2-8-10-4/h1-2H,(H,8,10) |
|---|
| InChIKey | MRTKTXTWOUDUTL-UHFFFAOYSA-N |
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| XLogP | 1.01 |
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| TPSA | 54.46 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 154.56 |
| LogP ≤ 5 | 1.01 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 5-chloro-1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-chloro-1H-pyrazolo[4,3-d]pyrimidine (CID 59796947) is 5-chloro-1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-chloro-1H-pyrazolo[4,3-d]pyrimidine is Clc1ncc2[nH]ncc2n1.
What is the InChIKey of 5-chloro-1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is MRTKTXTWOUDUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-5-7-1-4-3(9-5)2-8-10-4/h1-2H,(H,8,10).
What are the key properties of 5-chloro-1H-pyrazolo[4,3-d]pyrimidine?
5-chloro-1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 154.56 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 59796947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).