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Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate
TL;DR: Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate (CAS 1003988-83-7) is a chemical compound with molecular formula C12H11N3O5 and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate
Also Known As: methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate, methyl 1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate, Methyl 1-((2-nitrophenoxy)methyl)-1H-pyrazole-3-carboxylate, methyl 1-(2-nitrophenoxy)methyl-1H-pyrazole-3-carboxylate, Methyl1-((2-nitrophenoxy)methyl)-1H-pyrazole-3-carboxylate
| Molecular Formula | C12H11N3O5 |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.0699 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 1003988-83-7 |
|---|---|
| SMILES | COC(=O)C1=NN(C=C1)COC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | AKFRSTHVUBVTSU-UHFFFAOYSA-N |
Product Overview
Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate (CAS 1003988-83-7), with molecular formula C12H11N3O5 and molecular weight 277.07 g/mol. IUPAC: methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate.
Chemical Property Profile of Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate
Property Insights of Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate has 0 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 Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate?
The CAS number of Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate is 1003988-83-7.
What is the molecular formula of Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate?
The molecular formula of Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate is C12H11N3O5.
What is the molecular weight of Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate?
The molecular weight of Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate is 277.07 g/mol.
Where can I buy Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate?
You can request a quote for Methyl 1-[(2-nitrophenoxy)methyl]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 Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.