1H-Pyrazole, 1,3-dimethyl-
TL;DR: 1H-Pyrazole, 1,3-dimethyl- (CAS 694-48-4) is a chemical compound with molecular formula C5H8N2 and molecular weight 96.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethylpyrazole
Also Known As: 1,3-Dimethylpyrazole, 1,3-Dimethyl-1H-pyrazole, 2,5-Dimethylpyrazole, null, 4-Fluoropyridine
| Molecular Formula | C5H8N2 |
|---|---|
| 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 | 694-48-4 |
|---|---|
| SMILES | CC1=NN(C=C1)C |
| InChIKey | NODLZCJDRXTSJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrazole, 1,3-dimethyl- (CAS 694-48-4), with molecular formula C5H8N2 and molecular weight 96.07 g/mol. IUPAC: 1,3-dimethylpyrazole.
Chemical Property Profile of 1H-Pyrazole, 1,3-dimethyl-
Property Insights of 1H-Pyrazole, 1,3-dimethyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 1,3-dimethyl-. With a topological polar surface area (TPSA) of 17.8 Ų, 1H-Pyrazole, 1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, 1,3-dimethyl- 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 1H-Pyrazole, 1,3-dimethyl-?
The CAS number of 1H-Pyrazole, 1,3-dimethyl- is 694-48-4.
What is the molecular formula of 1H-Pyrazole, 1,3-dimethyl-?
The molecular formula of 1H-Pyrazole, 1,3-dimethyl- is C5H8N2.
What is the molecular weight of 1H-Pyrazole, 1,3-dimethyl-?
The molecular weight of 1H-Pyrazole, 1,3-dimethyl- is 96.07 g/mol.
Where can I buy 1H-Pyrazole, 1,3-dimethyl-?
You can request a quote for 1H-Pyrazole, 1,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole, 1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, 1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.