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 247.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C11H13N5S |
|---|---|
| Molecular Weight | 247.09 g/mol |
| LogP | 2.19052 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08917 |
| Heavy Atoms | 17 |
| Complexity | 562.17883 |
Chemical Identifiers
| CAS Number | 1004643-58-6 |
|---|---|
| SMILES | CCN1C(=C(C=N1)CN2C=C(C=N2)N=C=S)C |
Product Overview
1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole (CAS 1004643-58-6), with molecular formula C11H13N5S and molecular weight 247.09 g/mol. IUPAC: 1-ethyl-4-[(4-isothiocyanatopyrazol-1-yl)methyl]-5-methylpyrazole.
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 2.19052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole. With a topological polar surface area (TPSA) of 48.0 Ų, 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 247.09 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-4-(4-isothiocyanato-pyrazol-1-ylmethyl)-5-methyl-1H-pyrazole?
Yes, KEHONG BIO 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.