(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 404853-39-0) is a chemical compound with molecular formula C19H19N11O4 and molecular weight 465.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
| Molecular Formula | C19H19N11O4 |
|---|---|
| Molecular Weight | 465.16 g/mol |
| LogP | 1.40484 |
| Topological Polar Surface Area | 198.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.16214 |
| Heavy Atoms | 34 |
| Complexity | 1398.2402 |
Chemical Identifiers
| CAS Number | 404853-39-0 |
|---|---|
| SMILES | CCN1C(=C(C(=N1)C)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 404853-39-0), with molecular formula C19H19N11O4 and molecular weight 465.16 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.40484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 198.07 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is 404853-39-0.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is C19H19N11O4.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide is 465.16 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.