Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-
TL;DR: Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl- (CAS 105576-67-8) is a chemical compound with molecular formula C11H12N4O and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenylethanone
Also Known As: 3,5-Diamino-4-phenacylpyrazole, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenylethanone, Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-, 2-(3,5-diaminopyrazol-4-yl)-1-phenylethan-1-one, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-ethanone
| Molecular Formula | C11H12N4O |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 0.9995 |
| Topological Polar Surface Area | 97.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.1011 |
| Heavy Atoms | 16 |
| Complexity | 484.45804 |
Chemical Identifiers
| CAS Number | 105576-67-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC2=C(NN=C2N)N |
Product Overview
Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl- (CAS 105576-67-8), with molecular formula C11H12N4O and molecular weight 216.10 g/mol. IUPAC: 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenylethanone.
Chemical Property Profile of Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-
Property Insights of Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-
The XLogP value of 0.9995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-. The TPSA of 97.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-. Following Lipinski's Rule of Five, Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl- 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 Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-?
The CAS number of Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl- is 105576-67-8.
What is the molecular formula of Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-?
The molecular formula of Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl- is C11H12N4O.
What is the molecular weight of Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-?
The molecular weight of Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl- is 216.10 g/mol.
Where can I buy Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-?
You can request a quote for Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-(3,5-diamino-1H-pyrazol-4-yl)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.