1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one
Chemical Structure Depiction of
1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one
1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one
Compound characteristics
Compound ID: | 8015-6913 |
Compound Name: | 1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-nitro-1H-pyrazol-1-yl)butan-1-one |
Molecular Weight: | 311.73 |
Molecular Formula: | C12 H14 Cl N5 O3 |
Smiles: | Cc1c(c(C)n(C(CCCn2cc(cn2)[N+]([O-])=O)=O)n1)[Cl] |
Stereo: | ACHIRAL |
logP: | 0.6322 |
logD: | 0.6322 |
logSw: | -2.244 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 75.462 |
InChI Key: | BTZZPTBSNISTHE-UHFFFAOYSA-N |