![diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate structure](/static/products/956/956543-98-9.png)
diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate
TL;DR: diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate (CAS 956543-98-9) is a chemical compound with molecular formula C16H25N3O4 and molecular weight 323.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(2-tert-butyl-5-methylpyrazol-3-yl)amino]methylidene]propanedioate
Also Known As: diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate, 1,3-diethyl 2-{[(1-tert-butyl-3-methyl-1H-pyrazol-5-yl)amino]methylidene}propanedioate, diethyl 2-[[(2-tert-butyl-5-methylpyrazol-3-yl)amino]methylidene]propanedioate, 1,3-diethyl2-{[(1-tert-butyl-3-methyl-1H-pyrazol-5-yl)amino]methylidene}propanedioate, Diethyl 2-({1-(tert-butyl)-3-methyl-1H-pyrazol-5-ylamino}methylene)malonate
| Molecular Formula | C16H25N3O4 |
|---|---|
| Molecular Weight | 323.18 g/mol |
| LogP | 2.36852 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.1845 |
| Heavy Atoms | 23 |
| Complexity | 576.9568 |
Chemical Identifiers
| CAS Number | 956543-98-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=NN1C(C)(C)C)C)C(=O)OCC |
Product Overview
diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate (CAS 956543-98-9), with molecular formula C16H25N3O4 and molecular weight 323.18 g/mol. IUPAC: diethyl 2-[[(2-tert-butyl-5-methylpyrazol-3-yl)amino]methylidene]propanedioate.
Chemical Property Profile of diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate
Property Insights of diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate
The XLogP value of 2.36852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate. Following Lipinski's Rule of Five, diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)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-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate?
The CAS number of diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate is 956543-98-9.
What is the molecular formula of diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate?
The molecular formula of diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate is C16H25N3O4.
What is the molecular weight of diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate?
The molecular weight of diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate is 323.18 g/mol.
Where can I buy diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate?
You can request a quote for diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)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-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-({[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]amino}methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.