3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 153332-13-9) is a chemical compound with molecular formula C17H17N3OS and molecular weight 311.10922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, NCI60_040252, BB 0218903, 5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide
Technical Specifications
| Molecular Formula | C17H17N3OS |
| Molecular Weight | 311.10922 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.10922 Da |
| Heavy Atoms | 22 |
| Complexity | 426.0 |
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=S)N |
| InChIKey | FVLMPRHVNJXADJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-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 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 153332-13-9.
What is the molecular formula of 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C17H17N3OS.
What is the molecular weight of 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 311.10922 g/mol.
Where can I buy 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.