![4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide structure](/static/products/363/363591-53-1.png)
4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 363591-53-1) is a chemical compound with molecular formula C12H10N6OS and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-cyanophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, 4-[(4-cyanophenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide, (4E)-4-[(4-cyanophenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide, (4Z)-4-[(4-cyanophenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide, (4Z)-4-[2-(4-cyanophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C12H10N6OS |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.0637 |
| Heavy Atoms | 20 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 363591-53-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C(=S)N)N=NC2=CC=C(C=C2)C#N |
| InChIKey | NRSMFJDUZMUXFI-UHFFFAOYSA-N |
Product Overview
4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 363591-53-1), with molecular formula C12H10N6OS and molecular weight 286.06 g/mol. IUPAC: 4-[(4-cyanophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide has 2 hydrogen bond donor(s) and 6 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 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is 363591-53-1.
What is the molecular formula of 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is C12H10N6OS.
What is the molecular weight of 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide is 286.06 g/mol.
Where can I buy 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-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 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-cyanophenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.