3-Methylpyrazole
TL;DR: 3-Methylpyrazole (CAS 1453-58-3) is a chemical compound with molecular formula C4H6N2 and molecular weight 82.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1H-pyrazole
Also Known As: 3-Methylpyrazole, 5-methyl-1H-pyrazole, 3-Methyl-1H-pyrazole, 1H-Pyrazole, 3-methyl-, 1H-Pyrazole,5-methyl-
| Molecular Formula | C4H6N2 |
|---|---|
| Molecular Weight | 82.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 82.0531 |
| Heavy Atoms | 6 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 1453-58-3 |
|---|---|
| SMILES | CC1=CC=NN1 |
| InChIKey | XKVUYEYANWFIJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylpyrazole (CAS 1453-58-3), with molecular formula C4H6N2 and molecular weight 82.05 g/mol. IUPAC: 5-methyl-1H-pyrazole.
Chemical Property Profile of 3-Methylpyrazole
Property Insights of 3-Methylpyrazole
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylpyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 3-Methylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylpyrazole 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-Methylpyrazole?
The CAS number of 3-Methylpyrazole is 1453-58-3.
What is the molecular formula of 3-Methylpyrazole?
The molecular formula of 3-Methylpyrazole is C4H6N2.
What is the molecular weight of 3-Methylpyrazole?
The molecular weight of 3-Methylpyrazole is 82.05 g/mol.
Where can I buy 3-Methylpyrazole?
You can request a quote for 3-Methylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.