6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-methyl-1-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-methyl-1-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-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | Y500-0347 |
| Compound Name: | 6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 483.49 |
| Molecular Formula: | C25 H21 N7 O4 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2n(c2ccccc2)n1)c1ccc(c(Cn2cc(cn2)[N+]([O-])=O)c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7667 |
| logD: | 2.7666 |
| logSw: | -3.2498 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.834 |
| InChI Key: | VPFKTIDGHRKCCN-QHCPKHFHSA-N |