4-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-2515 |
| Compound Name: | 4-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 354.37 |
| Molecular Formula: | C17 H18 N6 O3 |
| Smiles: | CC1\C(=C/NCCCn2ccnc2)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.812 |
| logD: | 0.5701 |
| logSw: | -1.6097 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.743 |
| InChI Key: | GZVGQOJCEGKQIT-UHFFFAOYSA-N |