TL;DR: N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxamide (CAS 882229-90-5) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
Also Known As: N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxamide, N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide, F1495-1507
| Molecular Formula | C21H22N4O4 |
| Molecular Weight | 394.1641 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 93.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.1641 Da |
| Heavy Atoms | 29 |
| Complexity | 559.0 |
| SMILES | CCN(CC)C(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | YXKXGUVDJGQOQT-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxamide. Following Lipinski's Rule of Five, N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxamide is 882229-90-5.
The molecular formula of N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxamide is C21H22N4O4.
The molecular weight of N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxamide is 394.1641 g/mol.
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