![1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole structure](/static/products/956/956910-07-9.png)
1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole
TL;DR: 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole (CAS 956910-07-9) is a chemical compound with molecular formula C13H14ClN3O2 and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole
Also Known As: 1-[1-(4-chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole, 1-[1-(4-chlorophenyl)-2-nitroethyl]-3,5-dimethyl-1H-pyrazole, AP-906/41650517, 1-(1-(4-chlorophenyl)-2-nitroethyl)-3,5-dimethyl-1H-pyrazole, 1-{1-(4-chlorophenyl)-2-nitroethyl}-3,5-dimethyl-1H-pyrazole
| Molecular Formula | C13H14ClN3O2 |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 3.01944 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.07745 |
| Heavy Atoms | 19 |
| Complexity | 592.43585 |
Chemical Identifiers
| CAS Number | 956910-07-9 |
|---|---|
| SMILES | CC1=CC(=NN1C(C[N+](=O)[O-])C2=CC=C(C=C2)Cl)C |
Product Overview
1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole (CAS 956910-07-9), with molecular formula C13H14ClN3O2 and molecular weight 279.08 g/mol. IUPAC: 1-[1-(4-chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole.
Chemical Property Profile of 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole
Property Insights of 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole
The XLogP value of 3.01944 indicates that 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole. Following Lipinski's Rule of Five, 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole 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-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole?
The CAS number of 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole is 956910-07-9.
What is the molecular formula of 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole?
The molecular formula of 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole is C13H14ClN3O2.
What is the molecular weight of 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole?
The molecular weight of 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole is 279.08 g/mol.
Where can I buy 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole?
You can request a quote for 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(4-Chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.