methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate
TL;DR: methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate (CAS 309740-49-6) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-4-nitropyrazole-5-carboxylate
Also Known As: methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate, methyl 2-methyl-4-nitropyrazole-3-carboxylate, 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-nitro-, methyl ester, methyl 1-methyl-4-nitropyrazole-5-carboxylate, methyl1-methyl-4-nitro-1H-pyrazole-5-carboxylate
| Molecular Formula | C6H7N3O4 |
|---|---|
| Molecular Weight | 185.04 g/mol |
| LogP | 0.1149 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.04366 |
| Heavy Atoms | 13 |
| Complexity | 356.76138 |
Chemical Identifiers
| CAS Number | 309740-49-6 |
|---|---|
| SMILES | CN1C(=C(C=N1)[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate (CAS 309740-49-6), with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol. IUPAC: methyl 1-methyl-4-nitropyrazole-5-carboxylate.
Chemical Property Profile of methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate
Property Insights of methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate
The XLogP value of 0.1149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate has 0 hydrogen bond donor(s) and 5 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-methyl-4-nitro-1H-pyrazole-5-carboxylate?
The CAS number of methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate is 309740-49-6.
What is the molecular formula of methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate is C6H7N3O4.
What is the molecular weight of methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate is 185.04 g/mol.
Where can I buy methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 1-methyl-4-nitro-1H-pyrazole-5-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-methyl-4-nitro-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.