1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone
TL;DR: 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone (CAS 929260-75-3) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetyl-4-methyl-1H-pyrazol-5-yl)ethanone
Also Known As: 3,5-Diacetyl-4-methyl-1H-pyrazole, J2.568.531H, 1-(3-acetyl-4-methyl-1H-pyrazol-5-yl)ethan-1-one, 1-(3-acetyl-4-methyl-1H-pyrazol-5-yl)ethanone, 1-(5-acetyl-4-methyl-1H-pyrazol-3-yl)ethanone
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 1.12332 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 307.3271 |
Chemical Identifiers
| CAS Number | 929260-75-3 |
|---|---|
| SMILES | CC1=C(NN=C1C(=O)C)C(=O)C |
Product Overview
1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone (CAS 929260-75-3), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: 1-(3-acetyl-4-methyl-1H-pyrazol-5-yl)ethanone.
Chemical Property Profile of 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone
Property Insights of 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone
The XLogP value of 1.12332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone. Following Lipinski's Rule of Five, 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone has 1 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-Methyl-1H-pyrazole-3,5-diyl)diethanone?
The CAS number of 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone is 929260-75-3.
What is the molecular formula of 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone?
The molecular formula of 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone is C8H10N2O2.
What is the molecular weight of 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone?
The molecular weight of 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone is 166.07 g/mol.
Where can I buy 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone?
You can request a quote for 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone 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-Methyl-1H-pyrazole-3,5-diyl)diethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4-Methyl-1H-pyrazole-3,5-diyl)diethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.