N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazine-1-carbothioamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazine-1-carbothioamide--hydrogen chloride (1/1)
N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazine-1-carbothioamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y502-5150 |
| Compound Name: | N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazine-1-carbothioamide--hydrogen chloride (1/1) |
| Molecular Weight: | 402.86 |
| Molecular Formula: | C13 H18 N8 O3 S |
| Salt: | HCl |
| Smiles: | CCn1c(C)c(cn1)NC(NNC(CCn1cc(cn1)[N+]([O-])=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | -0.2317 |
| logD: | -0.2464 |
| logSw: | -1.9021 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.317 |
| InChI Key: | ASSHHYNMALQMJN-UHFFFAOYSA-N |