N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y206-4408 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-chloro-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 293.71 |
| Molecular Formula: | C13 H12 Cl N3 O3 |
| Smiles: | Cn1c(C(NCc2ccc3c(c2)OCO3)=O)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.6529 |
| logD: | 1.6529 |
| logSw: | -2.7182 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.283 |
| InChI Key: | VXRLVLJFBHTRBQ-UHFFFAOYSA-N |