1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo-
TL;DR: 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo- (CAS 26725-71-3) is a chemical compound with molecular formula C6H8N4O and molecular weight 152.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-amino-5-oxo-4H-pyrazol-1-yl)propanenitrile
Also Known As: 3-(3-amino-5-oxo-4H-pyrazol-1-yl)propanenitrile, 3-amino-1-(2-cyanoethyl)-2-pyrazolin-5-one, 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo-
| Molecular Formula | C6H8N4O |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | -0.59542 |
| Topological Polar Surface Area | 82.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.06981 |
| Heavy Atoms | 11 |
| Complexity | 239.45706 |
Chemical Identifiers
| CAS Number | 26725-71-3 |
|---|---|
| SMILES | C1C(=NN(C1=O)CCC#N)N |
Product Overview
1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo- (CAS 26725-71-3), with molecular formula C6H8N4O and molecular weight 152.07 g/mol. IUPAC: 3-(3-amino-5-oxo-4H-pyrazol-1-yl)propanenitrile.
Chemical Property Profile of 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo-
Property Insights of 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo-
The XLogP value of -0.59542 indicates that 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo-. Following Lipinski's Rule of Five, 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo- has 1 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 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo-?
The CAS number of 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo- is 26725-71-3.
What is the molecular formula of 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo-?
The molecular formula of 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo- is C6H8N4O.
What is the molecular weight of 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo-?
The molecular weight of 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo- is 152.07 g/mol.
Where can I buy 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo-?
You can request a quote for 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-1-propanenitrile, 3-amino-4,5-dihydro-5-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.