4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one
TL;DR: 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one (CAS 878208-90-3) is a chemical compound with molecular formula C12H16N4O and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-aminobutyl)-5-pyridin-4-yl-1,2-dihydropyrazol-3-one
Also Known As: 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one, 4-(4-aminobutyl)-5-(4-pyridinyl)-1,2-dihydro-3H-pyrazol-3-one, 4-(4-aminobutyl)-5-pyridin-4-yl-1,2-dihydropyrazol-3-one
| Molecular Formula | C12H16N4O |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 1.0464 |
| Topological Polar Surface Area | 87.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.13242 |
| Heavy Atoms | 17 |
| Complexity | 514.80194 |
Chemical Identifiers
| CAS Number | 878208-90-3 |
|---|---|
| SMILES | C1=CN=CC=C1C2=C(C(=O)NN2)CCCCN |
Product Overview
4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one (CAS 878208-90-3), with molecular formula C12H16N4O and molecular weight 232.13 g/mol. IUPAC: 4-(4-aminobutyl)-5-pyridin-4-yl-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one
Property Insights of 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one
The XLogP value of 1.0464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one. The TPSA of 87.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one. Following Lipinski's Rule of Five, 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one 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 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one?
The CAS number of 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one is 878208-90-3.
What is the molecular formula of 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one?
The molecular formula of 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one is C12H16N4O.
What is the molecular weight of 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one?
The molecular weight of 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one is 232.13 g/mol.
Where can I buy 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one?
You can request a quote for 4-(4-Aminobutyl)-5-(pyridin-4-yl)-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-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Aminobutyl)-5-(pyridin-4-yl)-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.