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1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
TL;DR: 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol (CAS 53409-45-3) is a chemical compound with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-1H-pyrazol-5-one
Also Known As: 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol, 2-[(4-chlorophenyl)methyl]-1H-pyrazol-5-one, 1-(4-Chlorobenzyl)-1H-pyrazol-3(2H)-one, 1-[(4-chlorophenyl)methyl]-2H-pyrazol-3-one, 1-(4-chlorobenzyl)-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.8781 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04034 |
| Heavy Atoms | 14 |
| Complexity | 469.36725 |
Chemical Identifiers
| CAS Number | 53409-45-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=CC(=O)N2)Cl |
Product Overview
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol (CAS 53409-45-3), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-1H-pyrazol-5-one.
Chemical Property Profile of 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
Property Insights of 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
The XLogP value of 1.8781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol. With a topological polar surface area (TPSA) of 37.79 Ų, 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)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-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol?
The CAS number of 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol is 53409-45-3.
What is the molecular formula of 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol?
The molecular formula of 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol is C10H9ClN2O.
What is the molecular weight of 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol?
The molecular weight of 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol is 208.04 g/mol.
Where can I buy 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol?
You can request a quote for 1-[(4-Chlorophenyl)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-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.