1-benzyl-4-methyl-1H-pyrazol-3-ol
TL;DR: 1-benzyl-4-methyl-1H-pyrazol-3-ol (CAS 53409-18-0) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-methyl-1H-pyrazol-5-one
Also Known As: 1-benzyl-4-methyl-1H-pyrazol-3-ol, 2-benzyl-4-methyl-1H-pyrazol-5-one, 1-benzyl-4-methyl-2H-pyrazol-3-one, 1,2-Dihydro-4-methyl-1-(phenylmethyl)-3H-pyrazol-3-one, 1-Benzyl-4-methyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 1.53312 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 467.5328 |
Chemical Identifiers
| CAS Number | 53409-18-0 |
|---|---|
| SMILES | CC1=CN(NC1=O)CC2=CC=CC=C2 |
Product Overview
1-benzyl-4-methyl-1H-pyrazol-3-ol (CAS 53409-18-0), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 2-benzyl-4-methyl-1H-pyrazol-5-one.
Chemical Property Profile of 1-benzyl-4-methyl-1H-pyrazol-3-ol
Property Insights of 1-benzyl-4-methyl-1H-pyrazol-3-ol
The XLogP value of 1.53312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-4-methyl-1H-pyrazol-3-ol. With a topological polar surface area (TPSA) of 37.79 Ų, 1-benzyl-4-methyl-1H-pyrazol-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-4-methyl-1H-pyrazol-3-ol has 1 hydrogen bond donor(s) and 1 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 1-benzyl-4-methyl-1H-pyrazol-3-ol?
The CAS number of 1-benzyl-4-methyl-1H-pyrazol-3-ol is 53409-18-0.
What is the molecular formula of 1-benzyl-4-methyl-1H-pyrazol-3-ol?
The molecular formula of 1-benzyl-4-methyl-1H-pyrazol-3-ol is C11H12N2O.
What is the molecular weight of 1-benzyl-4-methyl-1H-pyrazol-3-ol?
The molecular weight of 1-benzyl-4-methyl-1H-pyrazol-3-ol is 188.09 g/mol.
Where can I buy 1-benzyl-4-methyl-1H-pyrazol-3-ol?
You can request a quote for 1-benzyl-4-methyl-1H-pyrazol-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-4-methyl-1H-pyrazol-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-methyl-1H-pyrazol-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.