About (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
(1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (PubChem CID 110105367) has the molecular formula C14H19N5O2
and a molecular weight of 289.34 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.
Molecular Properties
| Compound Name | (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone |
| PubChem CID | 110105367 |
| Molecular Formula | C14H19N5O2 |
| Molecular Weight | 289.34 g/mol |
| Exact Mass | 289.15 |
| IUPAC Name | (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone |
| SMILES | Cc1cnc(C2COCCN2C(=O)c2cn(C)nc2C)[nH]1 |
| InChI | InChI=1S/C14H19N5O2/c1-9-6-15-13(16-9)12-8-21-5-4-19(12)14(20)11-7-18(3)17-10(11)2/h6-7,12H,4-5,8H2,1-3H3,(H,15,16) |
| InChIKey | ADLNVJMFRVXZQK-UHFFFAOYSA-N |
| XLogP | 0.97 |
| TPSA | 76.04 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 289.34 |
| LogP ≤ 5 | 0.97 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (CID 110105367) is (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is Cc1cnc(C2COCCN2C(=O)c2cn(C)nc2C)[nH]1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is ADLNVJMFRVXZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-6-15-13(16-9)12-8-21-5-4-19(12)14(20)11-7-18(3)17-10(11)2/h6-7,12H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 289.34 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110105367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).