2-(5-methyl-1H-pyrazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(5-methyl-1H-pyrazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(5-methyl-1H-pyrazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y508-8588 |
| Compound Name: | 2-(5-methyl-1H-pyrazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 231.25 |
| Molecular Formula: | C12 H13 N3 O2 |
| Smiles: | Cc1cc(n[nH]1)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3467 |
| logD: | 1.3467 |
| logSw: | -2.2062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.103 |
| InChI Key: | YGVMJZIRNDXQDC-UHFFFAOYSA-N |