(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 387344-72-1) is a chemical compound with molecular formula C25H31N11O3 and molecular weight 533.26 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)-[3-[(3,4-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(3,4-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-[(E)-{3-[(3,4-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-4-METHOXYPHENYL}METHYLIDENE]-5-[(PIPERIDIN-1-YL)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-[(3,4-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
| Molecular Formula | C25H31N11O3 |
|---|---|
| Molecular Weight | 533.26 g/mol |
| LogP | 1.85254 |
| Topological Polar Surface Area | 167.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.2611 |
| Heavy Atoms | 39 |
| Complexity | 1460.7062 |
Chemical Identifiers
| CAS Number | 387344-72-1 |
|---|---|
| SMILES | CC1=CN(N=C1C)CC2=C(C=CC(=C2)/C=N/NC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCCCC5)OC |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 387344-72-1), with molecular formula C25H31N11O3 and molecular weight 533.26 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-[(3,4-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 1.85254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 167.4 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-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'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-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'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide is 387344-72-1.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide is C25H31N11O3.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide is 533.26 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-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'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-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'-(3-((3,4-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.