1-(1H-Pyrazol-1-yl)ethanone
TL;DR: 1-(1H-Pyrazol-1-yl)ethanone (CAS 10199-64-1) is a chemical compound with molecular formula C5H6N2O and molecular weight 110.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrazol-1-ylethanone
Also Known As: 1-(1H-Pyrazol-1-yl)ethanone, 1-Pyrazol-1-yl-ethanone, 1-pyrazol-1-ylethanone, 1-acetylprazole, N-acetylpyrazole
| Molecular Formula | C5H6N2O |
|---|---|
| Molecular Weight | 110.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.04801 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 10199-64-1 |
|---|---|
| SMILES | CC(=O)N1C=CC=N1 |
| InChIKey | PGFTUYZICNEFJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1H-Pyrazol-1-yl)ethanone (CAS 10199-64-1), with molecular formula C5H6N2O and molecular weight 110.05 g/mol. IUPAC: 1-pyrazol-1-ylethanone.
Chemical Property Profile of 1-(1H-Pyrazol-1-yl)ethanone
Property Insights of 1-(1H-Pyrazol-1-yl)ethanone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-Pyrazol-1-yl)ethanone. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(1H-Pyrazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-Pyrazol-1-yl)ethanone has 0 hydrogen bond donor(s) and 2 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-(1H-Pyrazol-1-yl)ethanone?
The CAS number of 1-(1H-Pyrazol-1-yl)ethanone is 10199-64-1.
What is the molecular formula of 1-(1H-Pyrazol-1-yl)ethanone?
The molecular formula of 1-(1H-Pyrazol-1-yl)ethanone is C5H6N2O.
What is the molecular weight of 1-(1H-Pyrazol-1-yl)ethanone?
The molecular weight of 1-(1H-Pyrazol-1-yl)ethanone is 110.05 g/mol.
Where can I buy 1-(1H-Pyrazol-1-yl)ethanone?
You can request a quote for 1-(1H-Pyrazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-Pyrazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-Pyrazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.