5-amino-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-amino-2,4-dihydro-3H-pyrazol-3-one (CAS 6126-22-3) is a chemical compound with molecular formula C3H5N3O and molecular weight 99.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1,4-dihydropyrazol-5-one
Also Known As: 3-amino-1H-pyrazol-5(4H)-one, Halopemide, iminopyrazolinone, 3-Amino-5-hydroxypyrazole, 3-Amino-5-pyrazolone
| Molecular Formula | C3H5N3O |
|---|---|
| Molecular Weight | 99.04 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.04326 |
| Heavy Atoms | 7 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 6126-22-3 |
|---|---|
| SMILES | C1C(=NNC1=O)N |
| InChIKey | UELIBMUMKLRTKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-amino-2,4-dihydro-3H-pyrazol-3-one (CAS 6126-22-3), with molecular formula C3H5N3O and molecular weight 99.04 g/mol. IUPAC: 3-amino-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 5-amino-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-amino-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of -1.4 indicates that 5-amino-2,4-dihydro-3H-pyrazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-amino-2,4-dihydro-3H-pyrazol-3-one has 2 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-amino-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-amino-2,4-dihydro-3H-pyrazol-3-one is 6126-22-3.
What is the molecular formula of 5-amino-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-amino-2,4-dihydro-3H-pyrazol-3-one is C3H5N3O.
What is the molecular weight of 5-amino-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-amino-2,4-dihydro-3H-pyrazol-3-one is 99.04 g/mol.
Where can I buy 5-amino-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-amino-2,4-dihydro-3H-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 5-amino-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.