3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide
TL;DR: 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide (CAS 107463-37-6) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-methylsulfanyl-N-phenyl-1H-pyrazole-4-carboxamide
Also Known As: NCI60_033060, 5-amino-3-methylsulfanyl-4-phenylcarbamoyl-1H-pyrazole, N-Phenyl-3-methylthio-5-amino-1H-pyrazole-4-carboxamide, N-Phenyl-3-(methylthio)-5-amino-1H-pyrazole-4-carboxamide, 5-amino-3-(methylsulfanyl)-N-phenyl-1H-pyrazole-4-carboxamide
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 107463-37-6 |
|---|---|
| SMILES | CSC1=NNC(=C1C(=O)NC2=CC=CC=C2)N |
| InChIKey | KCRKRIUMPPYIDZ-UHFFFAOYSA-N |
Product Overview
3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide (CAS 107463-37-6), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: 5-amino-3-methylsulfanyl-N-phenyl-1H-pyrazole-4-carboxamide.
Chemical Property Profile of 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide
Property Insights of 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide. Following Lipinski's Rule of Five, 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide has 3 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 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide?
The CAS number of 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide is 107463-37-6.
What is the molecular formula of 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide?
The molecular formula of 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide is C11H12N4OS.
What is the molecular weight of 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide?
The molecular weight of 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide is 248.07 g/mol.
Where can I buy 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide?
You can request a quote for 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-imino-5-methylsulfanyl-N-phenyl-1,2-dihydropyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.