4-chloro-N-(3,5-dimethylphenyl)-5-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-chloro-N-(3,5-dimethylphenyl)-5-nitro-1H-pyrazole-3-carboxamide
4-chloro-N-(3,5-dimethylphenyl)-5-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
Compound ID: | Y509-3381 |
Compound Name: | 4-chloro-N-(3,5-dimethylphenyl)-5-nitro-1H-pyrazole-3-carboxamide |
Molecular Weight: | 294.69 |
Molecular Formula: | C12 H11 Cl N4 O3 |
Smiles: | Cc1cc(C)cc(c1)NC(c1c(c([nH]n1)[N+]([O-])=O)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.0553 |
logD: | 2.9967 |
logSw: | -3.8881 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.176 |
InChI Key: | KYKYKZUBFCMEKB-UHFFFAOYSA-N |