TL;DR: N'-(2-ME-3-PH-2-Propenylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide (CAS 1285533-06-3) is a chemical compound with molecular formula C20H17N5O3 and molecular weight 375.13315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Also Known As: N'-(2-Methyl-3-phenylallylidene)-5-(3-nitrophenyl)-1H-pyrazole-3-carbohydrazide, N'-(2-ME-3-PH-2-PROPENYLIDENE)-3-(3-NITROPHENYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE, N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide, (E)-N'-((E)-2-methyl-3-phenylallylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide, 652-041-4
| Molecular Formula | C20H17N5O3 |
| Molecular Weight | 375.13315 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.13315 Da |
| Heavy Atoms | 28 |
| Complexity | 609.0 |
| SMILES | C/C(=C\C1=CC=CC=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | GTQTXNLMQPYVBP-YHZNWYNJSA-N |
The XLogP value of 3.7 indicates that N'-(2-ME-3-PH-2-Propenylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide 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 N'-(2-ME-3-PH-2-Propenylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, N'-(2-ME-3-PH-2-Propenylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide 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'-(2-ME-3-PH-2-Propenylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide is 1285533-06-3.
The molecular formula of N'-(2-ME-3-PH-2-Propenylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide is C20H17N5O3.
The molecular weight of N'-(2-ME-3-PH-2-Propenylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide is 375.13315 g/mol.
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