3,3-Dimethyl-5-phenyl-3H-pyrazole
TL;DR: 3,3-Dimethyl-5-phenyl-3H-pyrazole (CAS 5363-10-0) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-5-phenylpyrazole
Also Known As: 3,3-Dimethyl-5-phenyl-3H-pyrazole, 3,3-dimethyl-5-phenylpyrazole
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 5363-10-0 |
|---|---|
| SMILES | CC1(C=C(N=N1)C2=CC=CC=C2)C |
| InChIKey | DVDCXZXRUPLKSU-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-5-phenyl-3H-pyrazole (CAS 5363-10-0), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 3,3-dimethyl-5-phenylpyrazole.
Chemical Property Profile of 3,3-Dimethyl-5-phenyl-3H-pyrazole
Property Insights of 3,3-Dimethyl-5-phenyl-3H-pyrazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-5-phenyl-3H-pyrazole. With a topological polar surface area (TPSA) of 24.7 Ų, 3,3-Dimethyl-5-phenyl-3H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-5-phenyl-3H-pyrazole 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 3,3-Dimethyl-5-phenyl-3H-pyrazole?
The CAS number of 3,3-Dimethyl-5-phenyl-3H-pyrazole is 5363-10-0.
What is the molecular formula of 3,3-Dimethyl-5-phenyl-3H-pyrazole?
The molecular formula of 3,3-Dimethyl-5-phenyl-3H-pyrazole is C11H12N2.
What is the molecular weight of 3,3-Dimethyl-5-phenyl-3H-pyrazole?
The molecular weight of 3,3-Dimethyl-5-phenyl-3H-pyrazole is 172.10 g/mol.
Where can I buy 3,3-Dimethyl-5-phenyl-3H-pyrazole?
You can request a quote for 3,3-Dimethyl-5-phenyl-3H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-5-phenyl-3H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-5-phenyl-3H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.