1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole
TL;DR: 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole (CAS 1004644-28-3) is a chemical compound with molecular formula C9H11N5O2 and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole
Also Known As: 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole, 1,3-Dimethyl-4-((4-nitro-1H-pyrazol-1-yl)methyl)-1H-pyrazole, 1,3-dimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole, 1,3-dimethyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole, 1,3-dimethyl-4-[(4-nitropyrazolyl)methyl]pyrazole
| Molecular Formula | C9H11N5O2 |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 0.88152 |
| Topological Polar Surface Area | 78.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.09128 |
| Heavy Atoms | 16 |
| Complexity | 527.74176 |
Chemical Identifiers
| CAS Number | 1004644-28-3 |
|---|---|
| SMILES | CC1=NN(C=C1CN2C=C(C=N2)[N+](=O)[O-])C |
Product Overview
1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole (CAS 1004644-28-3), with molecular formula C9H11N5O2 and molecular weight 221.09 g/mol. IUPAC: 1,3-dimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole.
Chemical Property Profile of 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole
Property Insights of 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole
The XLogP value of 0.88152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole. The TPSA of 78.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole. Following Lipinski's Rule of Five, 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole has 0 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 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole?
The CAS number of 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole is 1004644-28-3.
What is the molecular formula of 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole?
The molecular formula of 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole is C9H11N5O2.
What is the molecular weight of 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole?
The molecular weight of 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole is 221.09 g/mol.
Where can I buy 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole?
You can request a quote for 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-4-(4-nitro-pyrazol-1-ylmethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.