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 257.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3,5-dimethyl-4-[(E)-2-nitroethenyl]pyrazole
Also Known As: 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole
Technical Specifications
| Molecular Formula | C14H15N3O2 |
| Molecular Weight | 257.11642 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.11642 Da |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/[N+](=O)[O-] |
| InChIKey | QWAMRULGZHXLPZ-CMDGGOBGSA-N |
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 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole. The TPSA of 63.6 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
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 257.11642 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-benzyl-3,5-dimethyl-4-(2-nitroethenyl)-1H-pyrazole?
Yes, CoreyChem 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.