3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-
TL;DR: 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro- (CAS 52057-97-3) is a chemical compound with molecular formula C3H6N4O and molecular weight 114.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diamino-1,4-dihydropyrazol-5-one
Also Known As: 3,4-Diamino-1H-pyrazol-5(4H)-one, 3,4-diamino-1,4-dihydropyrazol-5-one, 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-, 4,5-diamino-1,2-dihydropyrazol-3-one, 4,5-diamino-2,4-dihydropyrazol-3-one
| Molecular Formula | C3H6N4O |
|---|---|
| Molecular Weight | 114.05 g/mol |
| LogP | -2.2843 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.05416 |
| Heavy Atoms | 8 |
| Complexity | 151.36241 |
Chemical Identifiers
| CAS Number | 52057-97-3 |
|---|---|
| SMILES | C1(C(=NNC1=O)N)N |
Product Overview
3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro- (CAS 52057-97-3), with molecular formula C3H6N4O and molecular weight 114.05 g/mol. IUPAC: 3,4-diamino-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-
Property Insights of 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-
The XLogP value of -2.2843 indicates that 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro- has 3 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 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-?
The CAS number of 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro- is 52057-97-3.
What is the molecular formula of 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-?
The molecular formula of 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro- is C3H6N4O.
What is the molecular weight of 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-?
The molecular weight of 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro- is 114.05 g/mol.
Where can I buy 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-?
You can request a quote for 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 4,5-diamino-2,4-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.