About 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine
3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 101344419) has the molecular formula C23H16ClN7O3
and a molecular weight of 473.88 g/mol. Its IUPAC name is 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine.
Molecular Properties
| Compound Name | 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine |
|---|
| PubChem CID | 101344419 |
|---|
| Molecular Formula | C23H16ClN7O3 |
|---|
| Molecular Weight | 473.88 g/mol |
|---|
| Exact Mass | 473.10 |
|---|
| IUPAC Name | 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine |
|---|
| SMILES | Cc1ccc(-c2cc(-c3ccco3)n3nc(N)c(/N=N/c4ccc([N+](=O)[O-])cc4Cl)c3n2)cc1 |
|---|
| InChI | InChI=1S/C23H16ClN7O3/c1-13-4-6-14(7-5-13)18-12-19(20-3-2-10-34-20)30-23(26-18)21(22(25)29-30)28-27-17-9-8-15(31(32)33)11-16(17)24/h2-12H,1H3,(H2,25,29)/b28-27+ |
|---|
| InChIKey | MATSCNQNWOEICE-BYYHNAKLSA-N |
|---|
| XLogP | 6.52 |
|---|
| TPSA | 137.21 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 473.88 |
| LogP ≤ 5 | 6.52 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine 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 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 101344419) is 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine is Cc1ccc(-c2cc(-c3ccco3)n3nc(N)c(/N=N/c4ccc([N+](=O)[O-])cc4Cl)c3n2)cc1.
What is the InChIKey of 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is MATSCNQNWOEICE-BYYHNAKLSA-N. The full InChI is InChI=1S/C23H16ClN7O3/c1-13-4-6-14(7-5-13)18-12-19(20-3-2-10-34-20)30-23(26-18)21(22(25)29-30)28-27-17-9-8-15(31(32)33)11-16(17)24/h2-12H,1H3,(H2,25,29)/b28-27+.
What are the key properties of 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine?
3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 473.88 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-nitrophenyl)diazenyl]-7-(furan-2-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 101344419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).