![N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide structure](/static/products/1005/1005563-17-6.webp)
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide
TL;DR: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide (CAS 1005563-17-6) is a chemical compound with molecular formula C17H21ClN4S and molecular weight 348.11755 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide
Also Known As: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide, N-[1-(2-chlorobenzyl)-1H-pyrazol-4-yl]azepane-1-carbothioamide, N-[1-(2-CHLOROBENZYL)-1H-PYRAZOL-4-YL]-1-AZEPANECARBOTHIOAMIDE
Technical Specifications
| Molecular Formula | C17H21ClN4S |
| Molecular Weight | 348.11755 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.11755 Da |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
| SMILES | C1CCCN(CC1)C(=S)NC2=CN(N=C2)CC3=CC=CC=C3Cl |
| InChIKey | CYZVGWDZWWKQJB-UHFFFAOYSA-N |
Chemical Property Profile of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide
Property Insights of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide
The XLogP value of 3.4 indicates that N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide. Following Lipinski's Rule of Five, N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide?
The CAS number of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide is 1005563-17-6.
What is the molecular formula of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide?
The molecular formula of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide is C17H21ClN4S.
What is the molecular weight of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide?
The molecular weight of N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide is 348.11755 g/mol.
Where can I buy N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide?
You can request a quote for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.