3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole
TL;DR: 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole (CAS 27258-02-2) is a chemical compound with molecular formula C8H10N2 and molecular weight 134.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1-prop-2-ynylpyrazole
Also Known As: 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole, 3,5-dimethyl-1-prop-2-ynylpyrazole, 3,5-dimethyl-1-propargylpyrazole, 3,5-dimethyl-1-prop-2-ynyl-1H-pyrazole, 3,5-DIMETHYL-1-(PROP-2-YN-1-YL)PYRAZOLE
| Molecular Formula | C8H10N2 |
|---|---|
| Molecular Weight | 134.08 g/mol |
| LogP | 1.13314 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.0844 |
| Heavy Atoms | 10 |
| Complexity | 265.27524 |
Chemical Identifiers
| CAS Number | 27258-02-2 |
|---|---|
| SMILES | CC1=CC(=NN1CC#C)C |
Product Overview
3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole (CAS 27258-02-2), with molecular formula C8H10N2 and molecular weight 134.08 g/mol. IUPAC: 3,5-dimethyl-1-prop-2-ynylpyrazole.
Chemical Property Profile of 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole
Property Insights of 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole
The XLogP value of 1.13314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-dimethyl-1-(prop-2-yn-1-yl)-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 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole?
The CAS number of 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole is 27258-02-2.
What is the molecular formula of 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole?
The molecular formula of 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole is C8H10N2.
What is the molecular weight of 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole?
The molecular weight of 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole is 134.08 g/mol.
Where can I buy 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole?
You can request a quote for 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.