![4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide structure](/static/products/1005/1005591-03-6.webp)
4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide
TL;DR: 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide (CAS 1005591-03-6) is a chemical compound with molecular formula C14H11BrClN5S and molecular weight 394.96072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide
Also Known As: 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide, 4-bromo-N-[1-(2-chlorobenzyl)-1H-pyrazol-4-yl]-1H-pyrazole-1-carbothioamide
Technical Specifications
| Molecular Formula | C14H11BrClN5S |
| Molecular Weight | 394.96072 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.96072 Da |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
| SMILES | C1=CC=C(C(=C1)CN2C=C(C=N2)NC(=S)N3C=C(C=N3)Br)Cl |
| InChIKey | YNJZAADYRLEARM-UHFFFAOYSA-N |
Chemical Property Profile of 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide
Property Insights of 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide
The XLogP value of 3.3 indicates that 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide?
The CAS number of 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide is 1005591-03-6.
What is the molecular formula of 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide?
The molecular formula of 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide is C14H11BrClN5S.
What is the molecular weight of 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide?
The molecular weight of 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide is 394.96072 g/mol.
Where can I buy 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide?
You can request a quote for 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.