TL;DR: N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide (CAS 1005610-31-0) is a chemical compound with molecular formula C20H18N4O4 and molecular weight 378.1328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide
Also Known As: N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide, N-{3-[(1,3-benzodioxol-5-ylcarbonyl)amino]phenyl}-1-ethyl-1H-pyrazole-5-carboxamide, N-[3-(benzo[1,3]dioxole-5-carbonylamino)phenyl]-2-ethyl-pyrazole-3-carboxamide
| Molecular Formula | C20H18N4O4 |
| Molecular Weight | 378.1328 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.1328 Da |
| Heavy Atoms | 28 |
| Complexity | 574.0 |
| SMILES | CCN1C(=CC=N1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4 |
| InChIKey | NYHCYVSLWBIDEL-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide has 2 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-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide is 1005610-31-0.
The molecular formula of N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide is C20H18N4O4.
The molecular weight of N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide is 378.1328 g/mol.
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