1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione
TL;DR: 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione (CAS 26964-40-9) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3,5-trimethylpyrazol-4-yl)butane-1,3-dione
Also Known As: 1-(1,3,5-trimethyl-1H-pyrazol-4-yl)butane-1,3-dione, 1-(trimethyl-1H-pyrazol-4-yl)butane-1,3-dione, 4-acetoacetyl-1,3,5-trimethylpyrazole, 1-(1,3,5-trimethylpyrazol-4-yl)butane-1,3-dione, 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 26964-40-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)C(=O)CC(=O)C |
| InChIKey | QQQGMBZQSFQXOD-UHFFFAOYSA-N |
Product Overview
1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione (CAS 26964-40-9), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: 1-(1,3,5-trimethylpyrazol-4-yl)butane-1,3-dione.
Chemical Property Profile of 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione
Property Insights of 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione. With a topological polar surface area (TPSA) of 52.0 Ų, 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione has 0 hydrogen bond donor(s) and 3 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-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione?
The CAS number of 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione is 26964-40-9.
What is the molecular formula of 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione?
The molecular formula of 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione is C10H14N2O2.
What is the molecular weight of 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione?
The molecular weight of 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione is 194.11 g/mol.
Where can I buy 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione?
You can request a quote for 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.