3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-
TL;DR: 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl- (CAS 112701-02-7) 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.
4-ethyl-3-methyl-1,4-dihydropyrazol-5-one
Also Known As: 4-Ethyl-5-methyl-2,4-dihydro-pyrazol-3-one, 4-ethyl-3-methyl-1,4-dihydropyrazol-5-one, 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-, 4-Ethyl-3-methyl-1H-pyrazol-5(4H)-one, 4-ethyl-3-methyl-2-pyrazolin-5-one
| Molecular Formula | C6H10N2O |
|---|---|
| Molecular Weight | 126.08 g/mol |
| LogP | 0.5183 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.079315 |
| Heavy Atoms | 9 |
| Complexity | 162.4408 |
Chemical Identifiers
| CAS Number | 112701-02-7 |
|---|---|
| SMILES | CCC1C(=NNC1=O)C |
Product Overview
3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl- (CAS 112701-02-7), with molecular formula C6H10N2O and molecular weight 126.08 g/mol. IUPAC: 4-ethyl-3-methyl-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-
Property Insights of 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-
The XLogP value of 0.5183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-. With a topological polar surface area (TPSA) of 41.46 Ų, 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl- 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 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-?
The CAS number of 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl- is 112701-02-7.
What is the molecular formula of 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-?
The molecular formula of 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl- is C6H10N2O.
What is the molecular weight of 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-?
The molecular weight of 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl- is 126.08 g/mol.
Where can I buy 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl-?
You can request a quote for 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl- 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-ethyl-2,4-dihydro-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 4-ethyl-2,4-dihydro-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.