TL;DR: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide (CAS 1005583-09-4) is a chemical compound with molecular formula C15H18N6O3 and molecular weight 330.14404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
Also Known As: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide, 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide, 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-2-methyl-N'-[(E)-pyridin-4-ylmethylidene]propanehydrazide, 3-(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)-2-METHYL-N-[(E)-1-(4-PYRIDYL)METHYLIDENE]PROPANOHYDRAZIDE
| Molecular Formula | C15H18N6O3 |
| Molecular Weight | 330.14404 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.14404 Da |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
| SMILES | CC1=C(C(=NN1CC(C)C(=O)N/N=C/C2=CC=NC=C2)C)[N+](=O)[O-] |
| InChIKey | XJHAHGNFKRVSTE-CAOOACKPSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide. Following Lipinski's Rule of Five, 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide is 1005583-09-4.
The molecular formula of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide is C15H18N6O3.
The molecular weight of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide is 330.14404 g/mol.
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