1,4-Dimethylpyrazole
TL;DR: 1,4-Dimethylpyrazole (CAS 1072-68-0) is a chemical compound with molecular formula CC1=CN(N=C1)C and molecular weight 96.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethylpyrazole
Also Known As: 1,4-Dimethylpyrazole, 1,4-Dimethyl-1H-pyrazole, Pyrazole, 1,4-dimethyl-, 1,4-Dimethyl pyrazole, 1H-Pyrazole, 1,4-dimethyl-
| Molecular Formula | CC1=CN(N=C1)C |
|---|---|
| Molecular Weight | 96.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.06875 |
| Heavy Atoms | 7 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 1072-68-0 |
|---|---|
| SMILES | CC1=CN(N=C1)C |
| InChIKey | SZQCPPRPWDXLMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dimethylpyrazole (CAS 1072-68-0), with molecular formula CC1=CN(N=C1)C and molecular weight 96.07 g/mol. IUPAC: 1,4-dimethylpyrazole.
Chemical Property Profile of 1,4-Dimethylpyrazole
Property Insights of 1,4-Dimethylpyrazole
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethylpyrazole. With a topological polar surface area (TPSA) of 17.8 Ų, 1,4-Dimethylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethylpyrazole 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 1,4-Dimethylpyrazole?
The CAS number of 1,4-Dimethylpyrazole is 1072-68-0.
What is the molecular formula of 1,4-Dimethylpyrazole?
The molecular formula of 1,4-Dimethylpyrazole is CC1=CN(N=C1)C.
What is the molecular weight of 1,4-Dimethylpyrazole?
The molecular weight of 1,4-Dimethylpyrazole is 96.07 g/mol.
Where can I buy 1,4-Dimethylpyrazole?
You can request a quote for 1,4-Dimethylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.