TL;DR: (E)-3-(benzo[d][1,3]dioxol-5-yl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide (CAS 1309683-37-1) is a chemical compound with molecular formula C17H13N5O3 and molecular weight 335.10184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Also Known As: (E)-3-(benzo[d][1,3]dioxol-5-yl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide, 3-(1,3-benzodioxol-5-yl)-N'-[(E)-3-pyridinylmethylidene]-1H-pyrazole-5-carbohydrazide, 3-(1,3-benzodioxol-5-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide, 5-(1,3-benzodioxol-5-yl)-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-3-carbohydrazide
| Molecular Formula | C17H13N5O3 |
| Molecular Weight | 335.10184 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.10184 Da |
| Heavy Atoms | 25 |
| Complexity | 503.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CN=CC=C4 |
| InChIKey | JSDDIFGGASGVBC-DJKKODMXSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(benzo[d][1,3]dioxol-5-yl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(benzo[d][1,3]dioxol-5-yl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, (E)-3-(benzo[d][1,3]dioxol-5-yl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-3-(benzo[d][1,3]dioxol-5-yl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide is 1309683-37-1.
The molecular formula of (E)-3-(benzo[d][1,3]dioxol-5-yl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide is C17H13N5O3.
The molecular weight of (E)-3-(benzo[d][1,3]dioxol-5-yl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide is 335.10184 g/mol.
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