methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate
methyl 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]acetate
Also Known As: KS-0000212Z|9B-100|methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate|Methyl 2-[(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methylamino]acetate|methyl 2-{[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate|methyl 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]acetate|methyl 2-[[(E)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]amino]acetate|methyl 2-{[(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)methylidene]amino}acetate|methyl2-{[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}acetate
| Molecular Formula | C8H11N3O3 |
|---|---|
| Molecular Weight | 197.08005 g/mol |
| LogP | -0.39668 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.08005 |
| Monoisotopic Mass | 197.08005 |
| Heavy Atoms | 14 |
| Complexity | 402.20917 |
Chemical Identifiers
| CAS Number | 338975-51-2 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C=NCC(=O)OC |
Product Overview
methyl 2-{[(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate (CAS 338975-51-2), with molecular formula C8H11N3O3 and molecular weight 197.08005 g/mol. IUPAC: methyl 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]acetate.