2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one
TL;DR: 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one (CAS 3201-20-5) is a chemical compound with molecular formula C6H10N2O and molecular weight 126.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4-trimethyl-1H-pyrazol-5-one
Also Known As: 3,4,4-Trimethyl-1H-pyrazol-5(4H)-one, 2,4-Dihydro-4,4,5-trimethyl-3H-pyrazol-3-one, 3,4,4-trimethyl-1H-pyrazol-5-one, 3,4-Trimethyl-5-pyrazolone, 3,4,4-Trimethyl-5-pyrazolon
| Molecular Formula | C6H10N2O |
|---|---|
| Molecular Weight | 126.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.079315 |
| Heavy Atoms | 9 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 3201-20-5 |
|---|---|
| SMILES | CC1=NNC(=O)C1(C)C |
| InChIKey | OYYADIVZIRDZGB-UHFFFAOYSA-N |
Product Overview
2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one (CAS 3201-20-5), with molecular formula C6H10N2O and molecular weight 126.08 g/mol. IUPAC: 3,4,4-trimethyl-1H-pyrazol-5-one.
Chemical Property Profile of 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one
Property Insights of 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 41.5 Ų, 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-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 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one?
The CAS number of 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one is 3201-20-5.
What is the molecular formula of 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one?
The molecular formula of 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one is C6H10N2O.
What is the molecular weight of 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one?
The molecular weight of 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one is 126.08 g/mol.
Where can I buy 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one?
You can request a quote for 2,4-dihydro-4,4,5-trimethyl-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 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dihydro-4,4,5-trimethyl-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.