1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole
TL;DR: 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole (CAS 1025219-06-0) is a chemical compound with molecular formula C14H15N3O2 and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3,5-dimethyl-4-[(E)-2-nitroethenyl]pyrazole
Also Known As: 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole
| Molecular Formula | C14H15N3O2 |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 2.79564 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.11642 |
| Heavy Atoms | 19 |
| Complexity | 615.12134 |
Chemical Identifiers
| CAS Number | 1025219-06-0 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/[N+](=O)[O-] |
Product Overview
1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole (CAS 1025219-06-0), with molecular formula C14H15N3O2 and molecular weight 257.12 g/mol. IUPAC: 1-benzyl-3,5-dimethyl-4-[(E)-2-nitroethenyl]pyrazole.
Chemical Property Profile of 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole
Property Insights of 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole
The XLogP value of 2.79564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole. Following Lipinski's Rule of Five, 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-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 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole?
The CAS number of 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole is 1025219-06-0.
What is the molecular formula of 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole?
The molecular formula of 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole is C14H15N3O2.
What is the molecular weight of 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole?
The molecular weight of 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole is 257.12 g/mol.
Where can I buy 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole?
You can request a quote for 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-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-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.