1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Chemical Structure Depiction of
1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Compound characteristics
Compound ID: | 8016-6470 |
Compound Name: | 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one |
Molecular Weight: | 384.23 |
Molecular Formula: | C14 H18 Br N5 O3 |
Smiles: | Cc1c(c(C)n(CCCC(n2c(C)c(c(C)n2)[Br])=O)n1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 1.0231 |
logD: | 1.0231 |
logSw: | -0.946 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 74.636 |
InChI Key: | GZQHOQJXERYNDM-UHFFFAOYSA-N |