TL;DR: BIM-0033131.P001 (CAS 1305338-07-1) is a chemical compound with molecular formula C22H17N5O3 and molecular weight 399.13315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-naphthalen-2-yl-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: BIM-0033131.P001, 3-(naphthalen-2-yl)-N'-[(1E)-1-(3-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(naphthalen-2-yl)-N'-(1-(3-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide, 3-(2-NAPHTHYL)-N'-[(E)-1-(3-NITROPHENYL)ETHYLIDENE]-1H-PYRAZOLE-5-CARBOHYDRAZIDE, 3-(2-naphthyl)-N'-[1-(3-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide
| Molecular Formula | C22H17N5O3 |
| Molecular Weight | 399.13315 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.13315 Da |
| Heavy Atoms | 30 |
| Complexity | 664.0 |
| SMILES | C/C(=N\NC(=O)C1=CC(=NN1)C2=CC3=CC=CC=C3C=C2)/C4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | QYXANNAOGOGOPS-OEAKJJBVSA-N |
The XLogP value of 4.4 indicates that BIM-0033131.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0033131.P001. Following Lipinski's Rule of Five, BIM-0033131.P001 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 BIM-0033131.P001 is 1305338-07-1.
The molecular formula of BIM-0033131.P001 is C22H17N5O3.
The molecular weight of BIM-0033131.P001 is 399.13315 g/mol.
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