1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole
TL;DR: 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole (CAS 1004643-58-6) is a chemical compound with molecular formula C11H13N5S and molecular weight 247.08917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-4-[(4-isothiocyanatopyrazol-1-yl)methyl]-5-methylpyrazole
Also Known As: 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole, 1-ethyl-4-[(4-isothiocyanato-1H-pyrazol-1-yl)methyl]-5-methyl-1H-pyrazole, 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-isothiocyanate, 1-ethyl-4-[(4-isothiocyanatopyrazol-1-yl)methyl]-5-methylpyrazole, 1-ethyl-4-(4-isothiocyanato-1H-pyrazol-1-yl)methyl-5-methyl-1H-pyrazole
Technical Specifications
| Molecular Formula | C11H13N5S |
| Molecular Weight | 247.08917 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08917 Da |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
| SMILES | CCN1C(=C(C=N1)CN2C=C(C=N2)N=C=S)C |
| InChIKey | YXDUDBBNROLGRX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole
Property Insights of 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole. Following Lipinski's Rule of Five, 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole?
The CAS number of 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole is 1004643-58-6.
What is the molecular formula of 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole?
The molecular formula of 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole is C11H13N5S.
What is the molecular weight of 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole?
The molecular weight of 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole is 247.08917 g/mol.
Where can I buy 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole?
You can request a quote for 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.