5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 329698-39-7) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one
Also Known As: 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one, 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one, AA-768/34978013, 3-methyl-4-[(2-methylphenyl)methyl]-4,5-dihydro-1H-pyrazol-5-one, 3-methyl-4-(o-tolylmethyl)-1,4-dihydropyrazol-5-one
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.65942 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 423.38522 |
Chemical Identifiers
| CAS Number | 329698-39-7 |
|---|---|
| SMILES | CC1=CC=CC=C1CC2C(=NNC2=O)C |
Product Overview
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 329698-39-7), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 1.65942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 41.46 Ų, 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-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 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one is 329698-39-7.
What is the molecular formula of 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one is C12H14N2O.
What is the molecular weight of 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one is 202.11 g/mol.
Where can I buy 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-methyl-4-(2-methylbenzyl)-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-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.