Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate
TL;DR: Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate (CAS 172701-51-8) is a chemical compound with molecular formula C19H16ClN5O5 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-chlorophenyl)-4-methoxy-5-[(4-nitrophenyl)diazenyl]pyrazole-3-carboxylate
Also Known As: Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-, ethyl ester, ethyl 1-(3-chlorophenyl)-4-methoxy-5-[(4-nitrophenyl)diazenyl]pyrazole-3-carboxylate, 1-(3-Chlorophenyl)-4-methoxy-5-(4-nitrophenyl)azo-1H-pyrazole-3-carboxylic acid ethyl ester, ethyl 1-(3-chlorophenyl)-4-methoxy-5-[2-(4-nitrophenyl)diazen-1-yl]-1H-pyrazole-3-carboxylate
| Molecular Formula | C19H16ClN5O5 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 5.0346 |
| Topological Polar Surface Area | 121.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.08398 |
| Heavy Atoms | 30 |
| Complexity | 1111.0029 |
Chemical Identifiers
| CAS Number | 172701-51-8 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1OC)N=NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)Cl |
Product Overview
Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate (CAS 172701-51-8), with molecular formula C19H16ClN5O5 and molecular weight 429.08 g/mol. IUPAC: ethyl 1-(3-chlorophenyl)-4-methoxy-5-[(4-nitrophenyl)diazenyl]pyrazole-3-carboxylate.
Chemical Property Profile of Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate
Property Insights of Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate
The XLogP value of 5.0346 indicates that Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate?
The CAS number of Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate is 172701-51-8.
What is the molecular formula of Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate?
The molecular formula of Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate is C19H16ClN5O5.
What is the molecular weight of Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate?
The molecular weight of Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate is 429.08 g/mol.
Where can I buy Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate?
You can request a quote for Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.