1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone
TL;DR: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone (CAS 13312-40-8) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethylpyrazol-1-yl)-2-(4-nitrophenoxy)ethanone
Also Known As: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone, 1-(3,5-dimethylpyrazol-1-yl)-2-(4-nitrophenoxy)ethanone, 1-(4-Nitrophenoxyacetyl)-3,5-dimethylpyrazol, 1-({4-nitrophenoxy}acetyl)-3,5-dimethyl-1H-pyrazole, AN-329/40839996
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 13312-40-8 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | HMENEHMKHRRLDH-UHFFFAOYSA-N |
Product Overview
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone (CAS 13312-40-8), with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol. IUPAC: 1-(3,5-dimethylpyrazol-1-yl)-2-(4-nitrophenoxy)ethanone.
Chemical Property Profile of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone
Property Insights of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone. Following Lipinski's Rule of Five, 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone has 0 hydrogen bond donor(s) and 5 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-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone?
The CAS number of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone is 13312-40-8.
What is the molecular formula of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone?
The molecular formula of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone is C13H13N3O4.
What is the molecular weight of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone?
The molecular weight of 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone is 275.09 g/mol.
Where can I buy 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone?
You can request a quote for 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.