About 7-chloro-1H-pyrazolo[4,5-d]pyrimidine
7-chloro-1H-pyrazolo[4,5-d]pyrimidine (PubChem CID 66570657) has the molecular formula C5H3ClN4
and a molecular weight of 154.56 g/mol. Its IUPAC name is 7-chloro-1H-pyrazolo[4,5-d]pyrimidine.
Molecular Properties
| Compound Name | 7-chloro-1H-pyrazolo[4,5-d]pyrimidine |
|---|
| PubChem CID | 66570657 |
|---|
| Molecular Formula | C5H3ClN4 |
|---|
| Molecular Weight | 154.56 g/mol |
|---|
| Exact Mass | 154.00 |
|---|
| IUPAC Name | 7-chloro-1H-pyrazolo[4,5-d]pyrimidine |
|---|
| SMILES | Clc1ncnc2cn[nH]c12 |
|---|
| InChI | InChI=1S/C5H3ClN4/c6-5-4-3(1-9-10-4)7-2-8-5/h1-2H,(H,9,10) |
|---|
| InChIKey | HHENWMDMGFNJEO-UHFFFAOYSA-N |
|---|
| XLogP | 1.01 |
|---|
| TPSA | 54.46 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
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 |
Analyze 7-chloro-1H-pyrazolo[4,5-d]pyrimidine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 7-chloro-1H-pyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-1H-pyrazolo[4,5-d]pyrimidine (CID 66570657) is 7-chloro-1H-pyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-1H-pyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-1H-pyrazolo[4,5-d]pyrimidine is Clc1ncnc2cn[nH]c12.
What is the InChIKey of 7-chloro-1H-pyrazolo[4,5-d]pyrimidine?
The InChIKey is HHENWMDMGFNJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-5-4-3(1-9-10-4)7-2-8-5/h1-2H,(H,9,10).
What are the key properties of 7-chloro-1H-pyrazolo[4,5-d]pyrimidine?
7-chloro-1H-pyrazolo[4,5-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 7-chloro-1H-pyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 66570657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).