![diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate structure](/static/products/2048/20481-33-8.webp)
diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate
TL;DR: diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate (CAS 20481-33-8) is a chemical compound with molecular formula C13H19N3O4 and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(2,5-dimethylpyrazol-3-yl)amino]methylidene]propanedioate
Also Known As: diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate, 6929AD, Diethyl 2-(((1,3-dimethyl-1H-pyrazol-5-yl)amino)methylene)malonate, diethyl 2-[[(2,5-dimethylpyrazol-3-yl)amino]methylidene]propanedioate, J2.079.857B
| Molecular Formula | C13H19N3O4 |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 1.15052 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.13754 |
| Heavy Atoms | 20 |
| Complexity | 499.68597 |
Chemical Identifiers
| CAS Number | 20481-33-8 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=NN1C)C)C(=O)OCC |
Product Overview
diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate (CAS 20481-33-8), with molecular formula C13H19N3O4 and molecular weight 281.14 g/mol. IUPAC: diethyl 2-[[(2,5-dimethylpyrazol-3-yl)amino]methylidene]propanedioate.
Chemical Property Profile of diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate
Property Insights of diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate
The XLogP value of 1.15052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate. Following Lipinski's Rule of Five, diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate has 1 hydrogen bond donor(s) and 6 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 diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate?
The CAS number of diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate is 20481-33-8.
What is the molecular formula of diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate?
The molecular formula of diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate is C13H19N3O4.
What is the molecular weight of diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate?
The molecular weight of diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate is 281.14 g/mol.
Where can I buy diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate?
You can request a quote for diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]methylidene}malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.