3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one
TL;DR: 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one (CAS 29211-49-2) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-pyridin-2-yl-4H-pyrazol-3-one
Also Known As: 5-methyl-2-pyridin-2-yl-4H-pyrazol-3-one, 3-Methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one, 5-methyl-2-(pyridin-2-yl)-2,4-dihydro-3H-pyrazol-3-one, 2,4-dihydro-5-methyl-2-(2-pyridinyl)-3H-Pyrazol-3-one, 3-Methyl-1-pyridin-2-yl-5-pyrazolone
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 29211-49-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC=CC=N2 |
| InChIKey | YRMYSKQWKJIJMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one (CAS 29211-49-2), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: 5-methyl-2-pyridin-2-yl-4H-pyrazol-3-one.
Chemical Property Profile of 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one
Property Insights of 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one. With a topological polar surface area (TPSA) of 45.6 Ų, 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one has 0 hydrogen bond donor(s) and 3 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 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one?
The CAS number of 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one is 29211-49-2.
What is the molecular formula of 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one?
The molecular formula of 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one is C9H9N3O.
What is the molecular weight of 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one?
The molecular weight of 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one is 175.07 g/mol.
Where can I buy 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one?
You can request a quote for 3-methyl-1-(pyridin-2-yl)-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 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.