Benzoylpyrazole
TL;DR: Benzoylpyrazole (CAS 86367-90-0) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl(1H-pyrazol-5-yl)methanone
Also Known As: benzoylpyrazole, 3-benzoyl-1H-pyrazole, Methanone, phenyl-1H-pyrazol-3-yl-, phenyl(1h-pyrazol-5-yl)methanone, 5-benzoyl-1H-pyrazole
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 86367-90-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=NN2 |
| InChIKey | UYMQWGLCXYHTES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoylpyrazole (CAS 86367-90-0), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: phenyl(1H-pyrazol-5-yl)methanone.
Chemical Property Profile of Benzoylpyrazole
Property Insights of Benzoylpyrazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoylpyrazole. With a topological polar surface area (TPSA) of 45.8 Ų, Benzoylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoylpyrazole has 1 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 Benzoylpyrazole?
The CAS number of Benzoylpyrazole is 86367-90-0.
What is the molecular formula of Benzoylpyrazole?
The molecular formula of Benzoylpyrazole is C10H8N2O.
What is the molecular weight of Benzoylpyrazole?
The molecular weight of Benzoylpyrazole is 172.06 g/mol.
Where can I buy Benzoylpyrazole?
You can request a quote for Benzoylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for Benzoylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.