5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 370855-44-0) is a chemical compound with molecular formula C17H16ClN3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, 3-(2-chlorophenyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide, [5-(2-chlorophenyl)-3-phenyl(2-pyrazolinyl)](methylamino)methane-1-thione
| Molecular Formula | C17H16ClN3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.9954 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.07535 |
| Heavy Atoms | 22 |
| Complexity | 714.8538 |
Chemical Identifiers
| CAS Number | 370855-44-0 |
|---|---|
| SMILES | CNC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3Cl |
Product Overview
5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 370855-44-0), with molecular formula C17H16ClN3S and molecular weight 329.08 g/mol. IUPAC: 3-(2-chlorophenyl)-N-methyl-5-phenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 3.9954 indicates that 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.63 Ų, 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-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
Frequently Asked Questions
What is the CAS number of 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 370855-44-0.
What is the molecular formula of 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C17H16ClN3S.
What is the molecular weight of 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 329.08 g/mol.
Where can I buy 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-chlorophenyl)-N-methyl-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.