2-acetyl-5-amino-4H-pyrazol-3-one
TL;DR: 2-acetyl-5-amino-4H-pyrazol-3-one (CAS 129027-73-2) is a chemical compound with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-5-amino-4H-pyrazol-3-one
Also Known As: 2-acetyl-5-amino-4H-pyrazol-3-one, 2-Acetyl-5-imino-3-pyrazolidinone, 1-acetyl-3-amino-1H-pyrazol-5(4H)-one, 2-acetyl-5-imino-pyrazolidin-3-one, NCI60_028907
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 129027-73-2 |
|---|---|
| SMILES | CC(=O)N1C(=O)CC(=N1)N |
| InChIKey | DZNZNJWEIQZUPD-UHFFFAOYSA-N |
Product Overview
2-acetyl-5-amino-4H-pyrazol-3-one (CAS 129027-73-2), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: 2-acetyl-5-amino-4H-pyrazol-3-one.
Chemical Property Profile of 2-acetyl-5-amino-4H-pyrazol-3-one
Property Insights of 2-acetyl-5-amino-4H-pyrazol-3-one
The XLogP value of -1.4 indicates that 2-acetyl-5-amino-4H-pyrazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-acetyl-5-amino-4H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-acetyl-5-amino-4H-pyrazol-3-one has 1 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 2-acetyl-5-amino-4H-pyrazol-3-one?
The CAS number of 2-acetyl-5-amino-4H-pyrazol-3-one is 129027-73-2.
What is the molecular formula of 2-acetyl-5-amino-4H-pyrazol-3-one?
The molecular formula of 2-acetyl-5-amino-4H-pyrazol-3-one is C5H7N3O2.
What is the molecular weight of 2-acetyl-5-amino-4H-pyrazol-3-one?
The molecular weight of 2-acetyl-5-amino-4H-pyrazol-3-one is 141.05 g/mol.
Where can I buy 2-acetyl-5-amino-4H-pyrazol-3-one?
You can request a quote for 2-acetyl-5-amino-4H-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 2-acetyl-5-amino-4H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-5-amino-4H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.