3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole
TL;DR: 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole (CAS 413616-56-5) is a chemical compound with molecular formula C8H9N5O2 and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole
Also Known As: 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole, BAS 00614060, AB00076673-01, 3,5'-Dimethyl-4'-nitro-2'H-[1,3']bipyrazolyl, 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole
| Molecular Formula | C8H9N5O2 |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.07562 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 413616-56-5 |
|---|---|
| SMILES | CC1=NN(C=C1)C2=NNC(=C2[N+](=O)[O-])C |
| InChIKey | JVQQVKXTIHJKKW-UHFFFAOYSA-N |
Product Overview
3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole (CAS 413616-56-5), with molecular formula C8H9N5O2 and molecular weight 207.08 g/mol. IUPAC: 5-methyl-3-(3-methylpyrazol-1-yl)-4-nitro-1H-pyrazole.
Chemical Property Profile of 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole
Property Insights of 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole. Following Lipinski's Rule of Five, 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole 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 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole?
The CAS number of 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole is 413616-56-5.
What is the molecular formula of 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole?
The molecular formula of 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole is C8H9N5O2.
What is the molecular weight of 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole?
The molecular weight of 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole is 207.08 g/mol.
Where can I buy 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole?
You can request a quote for 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5'-dimethyl-4'-nitro-2'H-1,3'-bipyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.