5-Aminomethylpyrazolin-5-one
TL;DR: 5-Aminomethylpyrazolin-5-one (CAS 33512-95-7) is a chemical compound with molecular formula C4H7N3O and molecular weight 113.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(aminomethyl)-1,2-dihydropyrazol-3-one
Also Known As: Azamuscimol, 5-Aminomethylpyrazolin-5-one, 5-(aminomethyl)-1H-pyrazol-3-ol, 5-(aminomethyl)-1,2-dihydropyrazol-3-one, 3-(aminomethyl)-1H-pyrazol-5-ol
| Molecular Formula | C4H7N3O |
|---|---|
| Molecular Weight | 113.06 g/mol |
| LogP | -0.8383 |
| Topological Polar Surface Area | 74.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.058914 |
| Heavy Atoms | 8 |
| Complexity | 211.05804 |
Chemical Identifiers
| CAS Number | 33512-95-7 |
|---|---|
| SMILES | C1=C(NNC1=O)CN |
Product Overview
5-Aminomethylpyrazolin-5-one (CAS 33512-95-7), with molecular formula C4H7N3O and molecular weight 113.06 g/mol. IUPAC: 5-(aminomethyl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 5-Aminomethylpyrazolin-5-one
Property Insights of 5-Aminomethylpyrazolin-5-one
The XLogP value of -0.8383 indicates that 5-Aminomethylpyrazolin-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Aminomethylpyrazolin-5-one. Following Lipinski's Rule of Five, 5-Aminomethylpyrazolin-5-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 5-Aminomethylpyrazolin-5-one?
The CAS number of 5-Aminomethylpyrazolin-5-one is 33512-95-7.
What is the molecular formula of 5-Aminomethylpyrazolin-5-one?
The molecular formula of 5-Aminomethylpyrazolin-5-one is C4H7N3O.
What is the molecular weight of 5-Aminomethylpyrazolin-5-one?
The molecular weight of 5-Aminomethylpyrazolin-5-one is 113.06 g/mol.
Where can I buy 5-Aminomethylpyrazolin-5-one?
You can request a quote for 5-Aminomethylpyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Aminomethylpyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Aminomethylpyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.