3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone
TL;DR: 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone (CAS 477731-07-0) is a chemical compound with molecular formula C20H21N5S and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea
Also Known As: N-Ethyl-2-((1-phenyl-3-(p-tolyl)-1H-pyrazol-4-yl)methylene)hydrazinecarbothioamide, 3-(4-METHYLPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE N-ETHYLTHIOSEMICARBAZONE, 3-ethyl-1-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea, 647-508-4, RefChem:493307
| Molecular Formula | C20H21N5S |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 3.66562 |
| Topological Polar Surface Area | 54.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.15176 |
| Heavy Atoms | 26 |
| Complexity | 897.7108 |
Chemical Identifiers
| CAS Number | 477731-07-0 |
|---|---|
| SMILES | CCNC(=S)N/N=C/C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=CC=C3 |
Product Overview
3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone (CAS 477731-07-0), with molecular formula C20H21N5S and molecular weight 363.15 g/mol. IUPAC: 1-ethyl-3-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea.
Chemical Property Profile of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone
Property Insights of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone
The XLogP value of 3.66562 indicates that 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.24 Ų, 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone has 2 hydrogen bond donor(s) and 3 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 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
The CAS number of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone is 477731-07-0.
What is the molecular formula of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
The molecular formula of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone is C20H21N5S.
What is the molecular weight of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
The molecular weight of 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone is 363.15 g/mol.
Where can I buy 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
You can request a quote for 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde N-ethylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.