TL;DR: 3-methyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide (CAS 1285531-11-4) is a chemical compound with molecular formula C13H14N4O and molecular weight 242.11676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: 3-methyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-methyl-N'-(4-methylbenzylidene)-1H-pyrazole-5-carbohydrazide, N-[(1E)-2-(4-methylphenyl)-1-azavinyl](3-methylpyrazol-5-yl)carboxamide, 5-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID (4-METHYL-BENZYLIDENE)-HYDRAZIDE, 5-methyl-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
| Molecular Formula | C13H14N4O |
| Molecular Weight | 242.11676 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.11676 Da |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
| SMILES | CC1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C |
| InChIKey | DSMOQBHBSHXZEQ-RIYZIHGNSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, 3-methyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-methyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 1285531-11-4.
The molecular formula of 3-methyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide is C13H14N4O.
The molecular weight of 3-methyl-N'-[(E)-(4-methylphenyl)methylidene]-1H-pyrazole-5-carbohydrazide is 242.11676 g/mol.
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