![N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide structure](/static/products/1005/1005578-69-7.webp)
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide
TL;DR: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide (CAS 1005578-69-7) is a chemical compound with molecular formula C18H24N4S and molecular weight 328.17218 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide
Also Known As: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide, N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]azepane-1-carbothioamide, N-[1-(2-METHYLBENZYL)-1H-PYRAZOL-4-YL]-1-AZEPANECARBOTHIOAMIDE
Technical Specifications
| Molecular Formula | C18H24N4S |
| Molecular Weight | 328.17218 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 65.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.17218 Da |
| Heavy Atoms | 23 |
| Complexity | 381.0 |
| SMILES | CC1=CC=CC=C1CN2C=C(C=N2)NC(=S)N3CCCCCC3 |
| InChIKey | XNALVJSDNXCLQD-UHFFFAOYSA-N |
Chemical Property Profile of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide
Property Insights of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide
The XLogP value of 3.2 indicates that N-[1-[(2-methylphenyl)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-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide. Following Lipinski's Rule of Five, N-[1-[(2-methylphenyl)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-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide?
The CAS number of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide is 1005578-69-7.
What is the molecular formula of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide?
The molecular formula of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide is C18H24N4S.
What is the molecular weight of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide?
The molecular weight of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide is 328.17218 g/mol.
Where can I buy N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide?
You can request a quote for N-[1-[(2-methylphenyl)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-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.