4-Benzyl-1,3,5-trimethyl-1H-pyrazole
TL;DR: 4-Benzyl-1,3,5-trimethyl-1H-pyrazole (CAS 23147-79-7) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-1,3,5-trimethylpyrazole
Also Known As: 4-Benzyl-1,3,5-trimethyl-1H-pyrazole, 4-benzyl-1,3,5-trimethylpyrazole, 4-Benzyl-1,3,5-trimethyl-1H-pyrazole #, Pyrazole, 4-phenylmethyl-1,3,5-trimethyl-
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 23147-79-7 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)CC2=CC=CC=C2 |
| InChIKey | QYVBDODVVLOQNZ-UHFFFAOYSA-N |
Product Overview
4-Benzyl-1,3,5-trimethyl-1H-pyrazole (CAS 23147-79-7), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 4-benzyl-1,3,5-trimethylpyrazole.
Chemical Property Profile of 4-Benzyl-1,3,5-trimethyl-1H-pyrazole
Property Insights of 4-Benzyl-1,3,5-trimethyl-1H-pyrazole
The XLogP value of 3.0 indicates that 4-Benzyl-1,3,5-trimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 4-Benzyl-1,3,5-trimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-1,3,5-trimethyl-1H-pyrazole has 0 hydrogen bond donor(s) and 1 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 4-Benzyl-1,3,5-trimethyl-1H-pyrazole?
The CAS number of 4-Benzyl-1,3,5-trimethyl-1H-pyrazole is 23147-79-7.
What is the molecular formula of 4-Benzyl-1,3,5-trimethyl-1H-pyrazole?
The molecular formula of 4-Benzyl-1,3,5-trimethyl-1H-pyrazole is C13H16N2.
What is the molecular weight of 4-Benzyl-1,3,5-trimethyl-1H-pyrazole?
The molecular weight of 4-Benzyl-1,3,5-trimethyl-1H-pyrazole is 200.13 g/mol.
Where can I buy 4-Benzyl-1,3,5-trimethyl-1H-pyrazole?
You can request a quote for 4-Benzyl-1,3,5-trimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-1,3,5-trimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-1,3,5-trimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.