6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-phenyl-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-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | Y500-0349 |
| Compound Name: | 6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 469.46 |
| Molecular Formula: | C24 H19 N7 O4 |
| Smiles: | COc1ccc(cc1Cn1cc(cn1)[N+]([O-])=O)C1C(C#N)=C(N)Oc2c1c(c1ccccc1)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5728 |
| logD: | 2.5728 |
| logSw: | -3.0315 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.991 |
| InChI Key: | KGIPMWXGSUZMAL-FQEVSTJZSA-N |