(E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide
TL;DR: (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide (CAS 305356-02-9) is a chemical compound with molecular formula C21H23N5O3 and molecular weight 393.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-adamantyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide, F1092-0738, 3-(adamantan-1-yl)-N'-[(1E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, 3-(1-adamantyl)-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, 5-(1-adamantyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
| Molecular Formula | C21H23N5O3 |
|---|---|
| Molecular Weight | 393.18 g/mol |
| LogP | 3.5496 |
| Topological Polar Surface Area | 113.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.18008 |
| Heavy Atoms | 29 |
| Complexity | 960.4235 |
Chemical Identifiers
| CAS Number | 305356-02-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)N/N=C/C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
(E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide (CAS 305356-02-9), with molecular formula C21H23N5O3 and molecular weight 393.18 g/mol. IUPAC: 5-(1-adamantyl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide.
Chemical Property Profile of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide
Property Insights of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide
The XLogP value of 3.5496 indicates that (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide?
The CAS number of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide is 305356-02-9.
What is the molecular formula of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide?
The molecular formula of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide is C21H23N5O3.
What is the molecular weight of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide?
The molecular weight of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide is 393.18 g/mol.
Where can I buy (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide?
You can request a quote for (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((1s,3s)-adamantan-1-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.