methyl 4-(3-methyl-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-methyl-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl)benzoate
methyl 4-(3-methyl-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl)benzoate
Compound characteristics
| Compound ID: | 8016-2398 |
| Compound Name: | methyl 4-(3-methyl-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl)benzoate |
| Molecular Weight: | 271.27 |
| Molecular Formula: | C14 H13 N3 O3 |
| Smiles: | Cc1c2C(c3ccc(cc3)C(=O)OC)NC(c2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3548 |
| logD: | 1.3548 |
| logSw: | -1.8883 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.296 |
| InChI Key: | JWRKYFAWCULPMO-NSHDSACASA-N |