4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one
TL;DR: 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one (CAS 878208-95-8) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(methylamino)propyl]-5-phenyl-1,2-dihydropyrazol-3-one
Also Known As: 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one, 4-(3-methylaminopropyl)-5-phenyl-1,2-dihydropyrazol-3-one, 4-[3-(methylamino)propyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[3-(methylamino)propyl]-5-phenyl-1,2-dihydropyrazol-3-one
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 1.522 |
| Topological Polar Surface Area | 60.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 512.9609 |
Chemical Identifiers
| CAS Number | 878208-95-8 |
|---|---|
| SMILES | CNCCCC1=C(NNC1=O)C2=CC=CC=C2 |
Product Overview
4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one (CAS 878208-95-8), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: 4-[3-(methylamino)propyl]-5-phenyl-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one
Property Insights of 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one
The XLogP value of 1.522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one. The TPSA of 60.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one. Following Lipinski's Rule of Five, 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-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-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one?
The CAS number of 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one is 878208-95-8.
What is the molecular formula of 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one?
The molecular formula of 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one is C13H17N3O.
What is the molecular weight of 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one?
The molecular weight of 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one is 231.14 g/mol.
Where can I buy 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one?
You can request a quote for 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(Methylamino)propyl)-5-phenyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.