4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide
TL;DR: 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide (CAS 1005662-29-2) is a chemical compound with molecular formula C17H22ClN5S and molecular weight 363.12845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide
Also Known As: 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide, 4-(5-chloro-2-methyl-phenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide, 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbothioamide, 4-(5-CHLORO-2-METHYLPHENYL)-N-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)TETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
Technical Specifications
| Molecular Formula | C17H22ClN5S |
| Molecular Weight | 363.12845 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.12845 Da |
| Heavy Atoms | 24 |
| Complexity | 443.0 |
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CN(N=C3C)C |
| InChIKey | DALQTSUGTPAMLW-UHFFFAOYSA-N |
Chemical Property Profile of 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide
Property Insights of 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide
The XLogP value of 3.0 indicates that 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-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-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide?
The CAS number of 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide is 1005662-29-2.
What is the molecular formula of 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide?
The molecular formula of 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide is C17H22ClN5S.
What is the molecular weight of 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide?
The molecular weight of 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide is 363.12845 g/mol.
Where can I buy 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide?
You can request a quote for 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 4-(5-chloro-2-methylphenyl)-N-(1,3-dimethylpyrazol-4-yl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.