![N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide structure](/static/products/4948/494866-74-9.webp)
N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide
TL;DR: N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide (CAS 494866-74-9) is a chemical compound with molecular formula C13H14N4OS and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide
Also Known As: N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide, AN-465/40769713, N-benzoyl-N'-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea, 1-BENZOYL-3-(3,5-DIMETHYL-1H-PYRAZOL-4-YL)THIOUREA
| Molecular Formula | C13H14N4OS |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 2.15334 |
| Topological Polar Surface Area | 69.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.08884 |
| Heavy Atoms | 19 |
| Complexity | 586.8607 |
Chemical Identifiers
| CAS Number | 494866-74-9 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)NC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide (CAS 494866-74-9), with molecular formula C13H14N4OS and molecular weight 274.09 g/mol. IUPAC: N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide.
Chemical Property Profile of N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide
Property Insights of N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide
The XLogP value of 2.15334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide. The TPSA of 69.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide has 3 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 N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide?
The CAS number of N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide is 494866-74-9.
What is the molecular formula of N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide?
The molecular formula of N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide is C13H14N4OS.
What is the molecular weight of N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide?
The molecular weight of N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide is 274.09 g/mol.
Where can I buy N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide?
You can request a quote for N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.