N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 383902-62-3) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, F0769-0006, N-methyl-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 3.2502 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 807.2477 |
Chemical Identifiers
| CAS Number | 383902-62-3 |
|---|---|
| SMILES | CNC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 383902-62-3), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: N-methyl-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 3.2502 indicates that N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 383902-62-3.
What is the molecular formula of N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C17H16N4O2S.
What is the molecular weight of N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 340.10 g/mol.
Where can I buy N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for N-methyl-5-(3-nitrophenyl)-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 N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.