N-(5-tert-butyl-2-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(5-tert-butyl-2-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
N-(5-tert-butyl-2-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-2627 |
| Compound Name: | N-(5-tert-butyl-2-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 318.33 |
| Molecular Formula: | C15 H18 N4 O4 |
| Smiles: | CC(C)(C)c1ccc(c(c1)NC(c1c(c[nH]n1)[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2702 |
| logD: | 3.2044 |
| logSw: | -3.7247 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.804 |
| InChI Key: | TUUJSKPNRULOES-UHFFFAOYSA-N |