methyl 4-nitro-1H-pyrazole-5-carboxylate
TL;DR: methyl 4-nitro-1H-pyrazole-5-carboxylate (CAS 1345513-95-2) is a chemical compound with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-nitro-1H-pyrazole-5-carboxylate
Also Known As: methyl 4-nitro-1H-pyrazole-3-carboxylate, methyl 4-nitro-1H-pyrazole-5-carboxylate, 4-Nitro-2H-pyrazole-3-carboxylic acid methyl ester, methyl nitropyrazolecarboxylate, methyl 4-nitropyrazole-3-carboxylate
| Molecular Formula | C5H5N3O4 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | 0.1045 |
| Topological Polar Surface Area | 98.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.028 |
| Heavy Atoms | 12 |
| Complexity | 318.24817 |
Chemical Identifiers
| CAS Number | 1345513-95-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=NN1)[N+](=O)[O-] |
Product Overview
methyl 4-nitro-1H-pyrazole-5-carboxylate (CAS 1345513-95-2), with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol. IUPAC: methyl 4-nitro-1H-pyrazole-5-carboxylate.
Chemical Property Profile of methyl 4-nitro-1H-pyrazole-5-carboxylate
Property Insights of methyl 4-nitro-1H-pyrazole-5-carboxylate
The XLogP value of 0.1045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-nitro-1H-pyrazole-5-carboxylate. The TPSA of 98.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-nitro-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 4-nitro-1H-pyrazole-5-carboxylate has 1 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 4-nitro-1H-pyrazole-5-carboxylate?
The CAS number of methyl 4-nitro-1H-pyrazole-5-carboxylate is 1345513-95-2.
What is the molecular formula of methyl 4-nitro-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 4-nitro-1H-pyrazole-5-carboxylate is C5H5N3O4.
What is the molecular weight of methyl 4-nitro-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 4-nitro-1H-pyrazole-5-carboxylate is 171.03 g/mol.
Where can I buy methyl 4-nitro-1H-pyrazole-5-carboxylate?
You can request a quote for 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 4-nitro-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-nitro-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.