4,5-dihydro-1H-pyrazol-5-one
TL;DR: 4,5-dihydro-1H-pyrazol-5-one (CAS 31470-09-4) is a chemical compound with molecular formula C3H4N2O and molecular weight 84.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dihydropyrazol-5-one
Also Known As: 1H-Pyrazol-5(4H)-one, 5-Pyrazolone, 4H-Pyrazol-3-ol, 2-Pyrazolin-5-one, pyrazolone
| Molecular Formula | C3H4N2O |
|---|---|
| Molecular Weight | 84.03 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.032364 |
| Heavy Atoms | 6 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 31470-09-4 |
|---|---|
| SMILES | C1C=NNC1=O |
| InChIKey | ZRHUHDUEXWHZMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-dihydro-1H-pyrazol-5-one (CAS 31470-09-4), with molecular formula C3H4N2O and molecular weight 84.03 g/mol. IUPAC: 1,4-dihydropyrazol-5-one.
Chemical Property Profile of 4,5-dihydro-1H-pyrazol-5-one
Property Insights of 4,5-dihydro-1H-pyrazol-5-one
The XLogP value of -0.8 indicates that 4,5-dihydro-1H-pyrazol-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.5 Ų, 4,5-dihydro-1H-pyrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-dihydro-1H-pyrazol-5-one has 1 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 4,5-dihydro-1H-pyrazol-5-one?
The CAS number of 4,5-dihydro-1H-pyrazol-5-one is 31470-09-4.
What is the molecular formula of 4,5-dihydro-1H-pyrazol-5-one?
The molecular formula of 4,5-dihydro-1H-pyrazol-5-one is C3H4N2O.
What is the molecular weight of 4,5-dihydro-1H-pyrazol-5-one?
The molecular weight of 4,5-dihydro-1H-pyrazol-5-one is 84.03 g/mol.
Where can I buy 4,5-dihydro-1H-pyrazol-5-one?
You can request a quote for 4,5-dihydro-1H-pyrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dihydro-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dihydro-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.