2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate
TL;DR: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate (CAS 404853-29-8) is a chemical compound with molecular formula C12H13N5O5 and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl] 1-methyl-4-nitropyrazole-5-carboxylate
Also Known As: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate, [2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl] 2-methyl-4-nitropyrazole-3-carboxylate
| Molecular Formula | C12H13N5O5 |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 0.63884 |
| Topological Polar Surface Area | 122.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.09167 |
| Heavy Atoms | 22 |
| Complexity | 760.04517 |
Chemical Identifiers
| CAS Number | 404853-29-8 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)COC(=O)C2=C(C=NN2C)[N+](=O)[O-])C |
Product Overview
2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate (CAS 404853-29-8), with molecular formula C12H13N5O5 and molecular weight 307.09 g/mol. IUPAC: [2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl] 1-methyl-4-nitropyrazole-5-carboxylate.
Chemical Property Profile of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate
Property Insights of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate
The XLogP value of 0.63884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate. The TPSA of 122.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate has 0 hydrogen bond donor(s) and 7 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 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate?
The CAS number of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate is 404853-29-8.
What is the molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate?
The molecular formula of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate is C12H13N5O5.
What is the molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate?
The molecular weight of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate is 307.09 g/mol.
Where can I buy 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate?
You can request a quote for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 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 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.