TL;DR: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-methoxy-2-nitrophenyl)amino]pyrimidine-5-carboxylate (CAS 1010862-78-8) is a chemical compound with molecular formula C19H20N6O5 and molecular weight 412.1495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxy-2-nitroanilino)pyrimidine-5-carboxylate
Also Known As: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-methoxy-2-nitrophenyl)amino]pyrimidine-5-carboxylate, ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxy-2-nitroanilino)pyrimidine-5-carboxylate, ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-methoxy-2-nitrophenyl)amino)pyrimidine-5-carboxylate, Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-methoxy-2-nitro-phenyl)amino]pyrimidine-5-carboxylate
| Molecular Formula | C19H20N6O5 |
| Molecular Weight | 412.1495 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.1495 Da |
| Heavy Atoms | 30 |
| Complexity | 604.0 |
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=C(C=C(C=C2)OC)[N+](=O)[O-])N3C(=CC(=N3)C)C |
| InChIKey | VCBPGODAOBRQTM-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-methoxy-2-nitrophenyl)amino]pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-methoxy-2-nitrophenyl)amino]pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-methoxy-2-nitrophenyl)amino]pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-methoxy-2-nitrophenyl)amino]pyrimidine-5-carboxylate is 1010862-78-8.
The molecular formula of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-methoxy-2-nitrophenyl)amino]pyrimidine-5-carboxylate is C19H20N6O5.
The molecular weight of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-methoxy-2-nitrophenyl)amino]pyrimidine-5-carboxylate is 412.1495 g/mol.
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