About 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135824080) has the molecular formula C18H19ClN6O
and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
Molecular Properties
| Compound Name | 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one |
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| PubChem CID | 135824080 |
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| Molecular Formula | C18H19ClN6O |
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| Molecular Weight | 370.84 g/mol |
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| Exact Mass | 370.13 |
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| IUPAC Name | 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one |
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| SMILES | Cc1ccc(C)c(-n2nc(C)c(/C=N\Nc3nc(C)cc(=O)[nH]3)c2Cl)c1 |
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| InChI | InChI=1S/C18H19ClN6O/c1-10-5-6-11(2)15(7-10)25-17(19)14(13(4)24-25)9-20-23-18-21-12(3)8-16(26)22-18/h5-9H,1-4H3,(H2,21,22,23,26)/b20-9- |
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| InChIKey | WTECAHVWOWBLMX-UKWGHVSLSA-N |
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| XLogP | 3.29 |
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| TPSA | 87.96 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 26 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 370.84 |
| LogP ≤ 5 | 3.29 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135824080) is 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1ccc(C)c(-n2nc(C)c(/C=N\Nc3nc(C)cc(=O)[nH]3)c2Cl)c1.
What is the InChIKey of 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WTECAHVWOWBLMX-UKWGHVSLSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-10-5-6-11(2)15(7-10)25-17(19)14(13(4)24-25)9-20-23-18-21-12(3)8-16(26)22-18/h5-9H,1-4H3,(H2,21,22,23,26)/b20-9-.
What are the key properties of 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 370.84 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135824080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).