methyl 1-[(2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)methyl]-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[(2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)methyl]-1H-pyrazole-3-carboxylate
methyl 1-[(2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)methyl]-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y505-7121 |
| Compound Name: | methyl 1-[(2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-1~1~H,2~1~H,3~1~H-[1~4~,2~3~:2~5~,3~4~-terpyrazol]-2~1~-yl)methyl]-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 428.88 |
| Molecular Formula: | C19 H21 Cl N8 O2 |
| Smiles: | Cc1c(cn(C)n1)c1c(c(c2cn(C)nc2C)n(Cn2ccc(C(=O)OC)n2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.9044 |
| logD: | 0.9044 |
| logSw: | -2.7268 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 80.78 |
| InChI Key: | QNVRBZWIFHDZLP-UHFFFAOYSA-N |