2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one
TL;DR: 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one (CAS 90772-91-1) 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)-5-methyl-1H-pyrazol-3-one
Also Known As: 2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one, 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one, 1-(4-Chlorophenyl)-3-methyl-5-pyrazolone, 1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-ol, 1-(4'-Chlorophenyl)-3-methyl-5-pyrazolone
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 2.12742 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.04034 |
| Heavy Atoms | 14 |
| Complexity | 495.5857 |
Chemical Identifiers
| CAS Number | 90772-91-1 |
|---|---|
| SMILES | CC1=CC(=O)N(N1)C2=CC=C(C=C2)Cl |
Product Overview
2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one (CAS 90772-91-1), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: 2-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one
Property Insights of 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one
The XLogP value of 2.12742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one. With a topological polar surface area (TPSA) of 37.79 Ų, 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one 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 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one?
The CAS number of 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one is 90772-91-1.
What is the molecular formula of 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one?
The molecular formula of 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one is C10H9ClN2O.
What is the molecular weight of 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one?
The molecular weight of 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one is 208.04 g/mol.
Where can I buy 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one?
You can request a quote for 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.