2-[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-9179 |
| Compound Name: | 2-[4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 490.83 |
| Molecular Formula: | C19 H14 Cl F3 N10 O |
| Smiles: | Cc1c2C(C3=C(N=Cn4c3nc(c3c(c(C(F)(F)F)n(C)n3)[Cl])n4)Oc2n[nH]1)c1cnn(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6947 |
| logD: | -1.3496 |
| logSw: | -3.0333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.436 |
| InChI Key: | ITTGPWYLSBLMEE-JTQLQIEISA-N |