3-isobutyl-1-methyl-5-nitro-1H-pyrazole
TL;DR: 3-isobutyl-1-methyl-5-nitro-1H-pyrazole (CAS 956501-75-0) is a chemical compound with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(2-methylpropyl)-5-nitropyrazole
Also Known As: 3-isobutyl-1-methyl-5-nitro-1H-pyrazole, 1-methyl-3-(2-methylpropyl)-5-nitropyrazole, 3-isobutyl-1-methyl-5-nitro-pyrazole, 1-methyl-3-(2-methylpropyl)-5-nitro-1H-pyrazole, 1H-Pyrazole, 1-methyl-3-(2-methylpropyl)-5-nitro
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | 1.5268 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 317.1891 |
Chemical Identifiers
| CAS Number | 956501-75-0 |
|---|---|
| SMILES | CC(C)CC1=NN(C(=C1)[N+](=O)[O-])C |
Product Overview
3-isobutyl-1-methyl-5-nitro-1H-pyrazole (CAS 956501-75-0), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: 1-methyl-3-(2-methylpropyl)-5-nitropyrazole.
Chemical Property Profile of 3-isobutyl-1-methyl-5-nitro-1H-pyrazole
Property Insights of 3-isobutyl-1-methyl-5-nitro-1H-pyrazole
The XLogP value of 1.5268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-isobutyl-1-methyl-5-nitro-1H-pyrazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-isobutyl-1-methyl-5-nitro-1H-pyrazole. Following Lipinski's Rule of Five, 3-isobutyl-1-methyl-5-nitro-1H-pyrazole has 0 hydrogen bond donor(s) and 3 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 3-isobutyl-1-methyl-5-nitro-1H-pyrazole?
The CAS number of 3-isobutyl-1-methyl-5-nitro-1H-pyrazole is 956501-75-0.
What is the molecular formula of 3-isobutyl-1-methyl-5-nitro-1H-pyrazole?
The molecular formula of 3-isobutyl-1-methyl-5-nitro-1H-pyrazole is C8H13N3O2.
What is the molecular weight of 3-isobutyl-1-methyl-5-nitro-1H-pyrazole?
The molecular weight of 3-isobutyl-1-methyl-5-nitro-1H-pyrazole is 183.10 g/mol.
Where can I buy 3-isobutyl-1-methyl-5-nitro-1H-pyrazole?
You can request a quote for 3-isobutyl-1-methyl-5-nitro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-isobutyl-1-methyl-5-nitro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-isobutyl-1-methyl-5-nitro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.