N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 669752-55-0) is a chemical compound with molecular formula C17H17N3S and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, N-(3-methylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide, [(3-methylphenyl)amino](5-phenyl(2-pyrazolinyl))methane-1-thione
| Molecular Formula | C17H17N3S |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 4.12462 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.11432 |
| Heavy Atoms | 21 |
| Complexity | 666.74524 |
Chemical Identifiers
| CAS Number | 669752-55-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N2C(CC=N2)C3=CC=CC=C3 |
Product Overview
N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 669752-55-0), with molecular formula C17H17N3S and molecular weight 295.11 g/mol. IUPAC: N-(3-methylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 4.12462 indicates that N-(3-methylphenyl)-5-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, N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-methylphenyl)-5-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 N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 669752-55-0.
What is the molecular formula of N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C17H17N3S.
What is the molecular weight of N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 295.11 g/mol.
Where can I buy N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for N-(3-methylphenyl)-5-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 N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.