N-(butan-2-yl)-1-methyl-5-(3-methyl-4-nitrophenoxy)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-1-methyl-5-(3-methyl-4-nitrophenoxy)-1H-pyrazole-3-carboxamide
N-(butan-2-yl)-1-methyl-5-(3-methyl-4-nitrophenoxy)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V007-1270 |
| Compound Name: | N-(butan-2-yl)-1-methyl-5-(3-methyl-4-nitrophenoxy)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 332.36 |
| Molecular Formula: | C16 H20 N4 O4 |
| Smiles: | CCC(C)NC(c1cc(n(C)n1)Oc1ccc(c(C)c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4542 |
| logD: | 2.4542 |
| logSw: | -2.7658 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.109 |
| InChI Key: | BCDNZHIOGNWYJO-NSHDSACASA-N |