5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole
TL;DR: 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole (CAS 53960-81-9) is a chemical compound with molecular formula C8H12N4O2 and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole
Also Known As: 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole, BAS 00648546, 4-nitro-3-methyl-5-(1-pyrrolidinyl)-1H-pyrazole, 3-Methyl-4-nitro-5-pyrrolidin-1-yl-1H-pyrazole, 5-methyl-4-nitro-3-(pyrrolidin-1-yl)-1H-pyrazole
| Molecular Formula | C8H12N4O2 |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 1.22652 |
| Topological Polar Surface Area | 75.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.09602 |
| Heavy Atoms | 14 |
| Complexity | 354.2233 |
Chemical Identifiers
| CAS Number | 53960-81-9 |
|---|---|
| SMILES | CC1=C(C(=NN1)N2CCCC2)[N+](=O)[O-] |
Product Overview
5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole (CAS 53960-81-9), with molecular formula C8H12N4O2 and molecular weight 196.10 g/mol. IUPAC: 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole.
Chemical Property Profile of 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole
Property Insights of 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole
The XLogP value of 1.22652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole. The TPSA of 75.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole. Following Lipinski's Rule of Five, 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole has 1 hydrogen bond donor(s) and 4 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 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole?
The CAS number of 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole is 53960-81-9.
What is the molecular formula of 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole?
The molecular formula of 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole is C8H12N4O2.
What is the molecular weight of 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole?
The molecular weight of 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole is 196.10 g/mol.
Where can I buy 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole?
You can request a quote for 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-nitro-3-pyrrolidin-1-yl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.