ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate
TL;DR: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate (CAS 1004019-21-9) is a chemical compound with molecular formula C18H18N6O4 and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitroanilino)pyrimidine-5-carboxylate
Also Known As: ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate, ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-nitrophenyl)amino]pyrimidine-5-carboxylate, ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitroanilino)pyrimidine-5-carboxylate
| Molecular Formula | C18H18N6O4 |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 3.10764 |
| Topological Polar Surface Area | 125.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.13895 |
| Heavy Atoms | 28 |
| Complexity | 1029.0552 |
Chemical Identifiers
| CAS Number | 1004019-21-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)[N+](=O)[O-])N3C(=CC(=N3)C)C |
Product Overview
ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate (CAS 1004019-21-9), with molecular formula C18H18N6O4 and molecular weight 382.14 g/mol. IUPAC: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitroanilino)pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate
Property Insights of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate
The XLogP value of 3.10764 indicates that ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 8 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 ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate?
The CAS number of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate is 1004019-21-9.
What is the molecular formula of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate?
The molecular formula of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate is C18H18N6O4.
What is the molecular weight of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate?
The molecular weight of ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate is 382.14 g/mol.
Where can I buy ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate?
You can request a quote for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-((4-nitrophenyl)amino)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.