TL;DR: 4-((5-Phenyl-2H-pyrazole-3-carbonyl)-hydrazonomethyl)-benzoic acid methyl ester (CAS 1305338-10-6) is a chemical compound with molecular formula C19H16N4O3 and molecular weight 348.12225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(E)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate, 4-((5-PHENYL-2H-PYRAZOLE-3-CARBONYL)-HYDRAZONOMETHYL)-BENZOIC ACID METHYL ESTER, methyl 4-[(E)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoate, METHYL 4-[(E)-{[(3-PHENYL-1H-PYRAZOL-5-YL)FORMAMIDO]IMINO}METHYL]BENZOATE, methyl 4-[(E)-{2-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]hydrazinylidene}methyl]benzoate
| Molecular Formula | C19H16N4O3 |
| Molecular Weight | 348.12225 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.12225 Da |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=CC=C3 |
| InChIKey | IDVJHDADVUIMHJ-UDWIEESQSA-N |
The XLogP value of 3.0 indicates that 4-((5-Phenyl-2H-pyrazole-3-carbonyl)-hydrazonomethyl)-benzoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((5-Phenyl-2H-pyrazole-3-carbonyl)-hydrazonomethyl)-benzoic acid methyl ester. Following Lipinski's Rule of Five, 4-((5-Phenyl-2H-pyrazole-3-carbonyl)-hydrazonomethyl)-benzoic acid methyl ester 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 4-((5-Phenyl-2H-pyrazole-3-carbonyl)-hydrazonomethyl)-benzoic acid methyl ester is 1305338-10-6.
The molecular formula of 4-((5-Phenyl-2H-pyrazole-3-carbonyl)-hydrazonomethyl)-benzoic acid methyl ester is C19H16N4O3.
The molecular weight of 4-((5-Phenyl-2H-pyrazole-3-carbonyl)-hydrazonomethyl)-benzoic acid methyl ester is 348.12225 g/mol.
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