4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 495404-90-5) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-aminoethyl)-5-phenyl-1,2-dihydropyrazol-3-one
Also Known As: 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-(2-aminoethyl)-5-phenyl-1,2-dihydropyrazol-3-one, 4-(2-Aminoethyl)-5-phenyl-1H-pyrazol-3(2H)-one, 3-fluoro-4-(n-morpholino)-benzaldehyde, BB 0260706
| Molecular Formula | C11H13N3O |
|---|---|
| Molecular Weight | 203.11 g/mol |
| LogP | 0.8712 |
| Topological Polar Surface Area | 74.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.10587 |
| Heavy Atoms | 15 |
| Complexity | 484.03418 |
Chemical Identifiers
| CAS Number | 495404-90-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)NN2)CCN |
Product Overview
4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 495404-90-5), with molecular formula C11H13N3O and molecular weight 203.11 g/mol. IUPAC: 4-(2-aminoethyl)-5-phenyl-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 0.8712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 74.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one has 3 hydrogen bond donor(s) and 2 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-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one is 495404-90-5.
What is the molecular formula of 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one is C11H13N3O.
What is the molecular weight of 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one is 203.11 g/mol.
Where can I buy 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-aminoethyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.