6-amino-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | Y500-0351 |
| Compound Name: | 6-amino-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C21 H21 N7 O4 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccc(c(Cn2c(C)c(c(C)n2)[N+]([O-])=O)c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5135 |
| logD: | 1.5135 |
| logSw: | -2.1941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.243 |
| InChI Key: | WCNPGXNZBXEYBX-SFHVURJKSA-N |