3-Methyl-4-phenylpyrazol
TL;DR: 3-Methyl-4-phenylpyrazol (CAS 1706-47-4) is a chemical compound with molecular formula C10H10N2 and molecular weight 158.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-phenyl-1H-pyrazole
Also Known As: 3-Methyl-4-phenyl-1H-pyrazole, 3-Methyl-4-phenylpyrazole, 5-methyl-4-phenyl-1H-pyrazole, 3-Methyl-4-phenylpyrazol, 2uw3
| Molecular Formula | C10H10N2 |
|---|---|
| Molecular Weight | 158.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.0844 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 1706-47-4 |
|---|---|
| SMILES | CC1=C(C=NN1)C2=CC=CC=C2 |
| InChIKey | XTXZCNATVCIKTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4-phenylpyrazol (CAS 1706-47-4), with molecular formula C10H10N2 and molecular weight 158.08 g/mol. IUPAC: 5-methyl-4-phenyl-1H-pyrazole.
Chemical Property Profile of 3-Methyl-4-phenylpyrazol
Property Insights of 3-Methyl-4-phenylpyrazol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-phenylpyrazol. With a topological polar surface area (TPSA) of 28.7 Ų, 3-Methyl-4-phenylpyrazol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-phenylpyrazol has 1 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 3-Methyl-4-phenylpyrazol?
The CAS number of 3-Methyl-4-phenylpyrazol is 1706-47-4.
What is the molecular formula of 3-Methyl-4-phenylpyrazol?
The molecular formula of 3-Methyl-4-phenylpyrazol is C10H10N2.
What is the molecular weight of 3-Methyl-4-phenylpyrazol?
The molecular weight of 3-Methyl-4-phenylpyrazol is 158.08 g/mol.
Where can I buy 3-Methyl-4-phenylpyrazol?
You can request a quote for 3-Methyl-4-phenylpyrazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-phenylpyrazol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-phenylpyrazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.