3-methyl-1-(4-nitrophenyl)-1H-pyrazole
TL;DR: 3-methyl-1-(4-nitrophenyl)-1H-pyrazole (CAS 7539-22-2) is a chemical compound with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(4-nitrophenyl)pyrazole
Also Known As: 3-methyl-1-(4-nitrophenyl)-1H-pyrazole, 3-methyl-1-(4-nitrophenyl)pyrazole, TIMTEC-BB SBB009850, 1-(4-nitrophenyl)-3-methylpyrazole, pyrazole, 3-methyl-1-(p-nitro)phenyl-
| Molecular Formula | C10H9N3O2 |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 2.08892 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.06947 |
| Heavy Atoms | 15 |
| Complexity | 487.62354 |
Chemical Identifiers
| CAS Number | 7539-22-2 |
|---|---|
| SMILES | CC1=NN(C=C1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-methyl-1-(4-nitrophenyl)-1H-pyrazole (CAS 7539-22-2), with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol. IUPAC: 3-methyl-1-(4-nitrophenyl)pyrazole.
Chemical Property Profile of 3-methyl-1-(4-nitrophenyl)-1H-pyrazole
Property Insights of 3-methyl-1-(4-nitrophenyl)-1H-pyrazole
The XLogP value of 2.08892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1-(4-nitrophenyl)-1H-pyrazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1-(4-nitrophenyl)-1H-pyrazole. Following Lipinski's Rule of Five, 3-methyl-1-(4-nitrophenyl)-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-methyl-1-(4-nitrophenyl)-1H-pyrazole?
The CAS number of 3-methyl-1-(4-nitrophenyl)-1H-pyrazole is 7539-22-2.
What is the molecular formula of 3-methyl-1-(4-nitrophenyl)-1H-pyrazole?
The molecular formula of 3-methyl-1-(4-nitrophenyl)-1H-pyrazole is C10H9N3O2.
What is the molecular weight of 3-methyl-1-(4-nitrophenyl)-1H-pyrazole?
The molecular weight of 3-methyl-1-(4-nitrophenyl)-1H-pyrazole is 203.07 g/mol.
Where can I buy 3-methyl-1-(4-nitrophenyl)-1H-pyrazole?
You can request a quote for 3-methyl-1-(4-nitrophenyl)-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-methyl-1-(4-nitrophenyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-(4-nitrophenyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.