Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-
TL;DR: Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl- (CAS 17512-08-2) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4-trimethyl-5-(2-methylbuta-2,3-dienyl)pyrazole
Also Known As: 1,3,4-trimethyl-5-(2-methylbuta-2,3-dienyl)pyrazole, Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-, Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-,, Pyrazole, 1,3,4-trimethyl-5-(2-methyl-2,3-butadienyl)-, 1,3,4-trimethyl-5-(2-methyl-buta-2,3-dienyl)-1H-pyrazole
| Molecular Formula | C11H16N2 |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.13135 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 17512-08-2 |
|---|---|
| SMILES | CC1=C(N(N=C1C)C)CC(=C=C)C |
| InChIKey | FXOTWDYPDWRMSA-UHFFFAOYSA-N |
Product Overview
Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl- (CAS 17512-08-2), with molecular formula C11H16N2 and molecular weight 176.13 g/mol. IUPAC: 1,3,4-trimethyl-5-(2-methylbuta-2,3-dienyl)pyrazole.
Chemical Property Profile of Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-
Property Insights of Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-. With a topological polar surface area (TPSA) of 17.8 Ų, Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl- 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 Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-?
The CAS number of Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl- is 17512-08-2.
What is the molecular formula of Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-?
The molecular formula of Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl- is C11H16N2.
What is the molecular weight of Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-?
The molecular weight of Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl- is 176.13 g/mol.
Where can I buy Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-?
You can request a quote for Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.