1-tert-butyl-N-(4-fluorophenyl)-4-methyl-5-(2-nitrophenoxy)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-tert-butyl-N-(4-fluorophenyl)-4-methyl-5-(2-nitrophenoxy)-1H-pyrazole-3-carboxamide
1-tert-butyl-N-(4-fluorophenyl)-4-methyl-5-(2-nitrophenoxy)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V029-9781 |
| Compound Name: | 1-tert-butyl-N-(4-fluorophenyl)-4-methyl-5-(2-nitrophenoxy)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C21 H21 F N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1c(C(Nc2ccc(cc2)F)=O)nn(c1Oc1ccccc1[N+]([O-])=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.4684 |
| logD: | 4.4672 |
| logSw: | -4.5154 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.339 |
| InChI Key: | KRXJQNYBNSRNNZ-UHFFFAOYSA-N |