3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole
TL;DR: 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole (CAS 681468-30-4) is a chemical compound with molecular formula C8H14N2 and molecular weight 138.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-3-propan-2-yl-1H-pyrazole
Also Known As: 4,5-dimethyl-3-propan-2-yl-1H-pyrazole, 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole
| Molecular Formula | C8H14N2 |
|---|---|
| Molecular Weight | 138.12 g/mol |
| LogP | 2.14994 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.11569 |
| Heavy Atoms | 10 |
| Complexity | 223.1615 |
Chemical Identifiers
| CAS Number | 681468-30-4 |
|---|---|
| SMILES | CC1=C(NN=C1C(C)C)C |
Product Overview
3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole (CAS 681468-30-4), with molecular formula C8H14N2 and molecular weight 138.12 g/mol. IUPAC: 4,5-dimethyl-3-propan-2-yl-1H-pyrazole.
Chemical Property Profile of 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole
Property Insights of 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole
The XLogP value of 2.14994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole. With a topological polar surface area (TPSA) of 28.68 Ų, 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole 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 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole?
The CAS number of 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole is 681468-30-4.
What is the molecular formula of 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole?
The molecular formula of 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole is C8H14N2.
What is the molecular weight of 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole?
The molecular weight of 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole is 138.12 g/mol.
Where can I buy 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole?
You can request a quote for 3,4-dimethyl-5-(propan-2-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 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.