methyl 1-[(4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 1-[(4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate
methyl 1-[(4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | Y507-3949 |
| Compound Name: | methyl 1-[(4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 279.22 |
| Molecular Formula: | C12 H10 F N3 O4 |
| Smiles: | COC(c1cn(Cc2ccc(cc2)F)nc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8433 |
| logD: | 1.8433 |
| logSw: | -2.3869 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.008 |
| InChI Key: | QXGSDQRTRUDURU-UHFFFAOYSA-N |