methyl 2-[2-(3-amino-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]benzoate
Chemical Structure Depiction of
methyl 2-[2-(3-amino-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]benzoate
methyl 2-[2-(3-amino-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]benzoate
Compound characteristics
| Compound ID: | 5107-0107 |
| Compound Name: | methyl 2-[2-(3-amino-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]benzoate |
| Molecular Weight: | 261.24 |
| Molecular Formula: | C11 H11 N5 O3 |
| Smiles: | COC(c1ccccc1N/N=C1\C(N)=NNC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2047 |
| logD: | 1.0729 |
| logSw: | -2.0594 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.723 |
| InChI Key: | QXSKQJOMRUONPD-UHFFFAOYSA-N |