6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | Y500-0344 |
| Compound Name: | 6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C26 H23 N7 O4 |
| Smiles: | Cc1ccc(cc1)n1c2c(C(C(C#N)=C(N)O2)c2ccc(c(Cn3cc(cn3)[N+]([O-])=O)c2)OC)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3116 |
| logD: | 3.3116 |
| logSw: | -3.6 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.834 |
| InChI Key: | BFGMZUXRUQSFAO-DEOSSOPVSA-N |