1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
TL;DR: 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one (CAS 94532-57-7) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one
Also Known As: Maybridge1_001810, 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one, 2-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one, BRD-A94383165-001-01-3, 1- -4- -3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.0611 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 456.07837 |
Chemical Identifiers
| CAS Number | 94532-57-7 |
|---|---|
| SMILES | CC1=NN(C(=O)C1CCO)C2=CC=C(C=C2)Cl |
Product Overview
1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one (CAS 94532-57-7), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: 2-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
Property Insights of 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
The XLogP value of 2.0611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one. With a topological polar surface area (TPSA) of 52.9 Ų, 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one has 1 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 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
The CAS number of 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one is 94532-57-7.
What is the molecular formula of 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
The molecular formula of 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one is C12H13ClN2O2.
What is the molecular weight of 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
The molecular weight of 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one is 252.07 g/mol.
Where can I buy 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
You can request a quote for 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-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 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.