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Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
TL;DR: Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate (CAS 311797-98-5) is a chemical compound with molecular formula C19H16N4O5 and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
Also Known As: AB00091311-01, ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate, A1704/0072579, ethyl 5-({3-nitrobenzoyl}amino)-1-phenyl-1H-pyrazole-4-carboxylate, ETHYL 5-(3-NITROBENZAMIDO)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE
| Molecular Formula | C19H16N4O5 |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 3.2095 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.11206 |
| Heavy Atoms | 28 |
| Complexity | 1029.8131 |
Chemical Identifiers
| CAS Number | 311797-98-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate (CAS 311797-98-5), with molecular formula C19H16N4O5 and molecular weight 380.11 g/mol. IUPAC: ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
Property Insights of Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
The XLogP value of 3.2095 indicates that Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate 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 Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
The CAS number of Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate is 311797-98-5.
What is the molecular formula of Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
The molecular formula of Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate is C19H16N4O5.
What is the molecular weight of Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
The molecular weight of Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate is 380.11 g/mol.
Where can I buy Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
You can request a quote for Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-[(3-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.