5-methyl-4-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-3575 |
| Compound Name: | 5-methyl-4-({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 377.36 |
| Molecular Formula: | C19 H15 N5 O4 |
| Smiles: | CC1/C(=C\c2ccc(Cn3cc(cn3)[N+]([O-])=O)o2)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7378 |
| logD: | 2.7377 |
| logSw: | -3.0054 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.486 |
| InChI Key: | XUOTZVXRRHVPTC-UHFFFAOYSA-N |