1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one
TL;DR: 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one (CAS 482279-18-5) is a chemical compound with molecular formula C10H9IN2O and molecular weight 299.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one
Also Known As: 1-(4-Iodophenyl)-3-methyl-1H-pyrazol-5-ol, BAS 00501973, 2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one, 2-(4-iodophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, Pyrazol-5-ol, 1-(4-iodophenyl)-3-methyl-
| Molecular Formula | C10H9IN2O |
|---|---|
| Molecular Weight | 299.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.97595 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 482279-18-5 |
|---|---|
| SMILES | CC1=CC(=O)N(N1)C2=CC=C(C=C2)I |
| InChIKey | ZWJYEUAIQBJLCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one (CAS 482279-18-5), with molecular formula C10H9IN2O and molecular weight 299.98 g/mol. IUPAC: 2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one
Property Insights of 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 32.3 Ų, 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 2 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 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one?
The CAS number of 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one is 482279-18-5.
What is the molecular formula of 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one?
The molecular formula of 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one is C10H9IN2O.
What is the molecular weight of 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one?
The molecular weight of 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one is 299.98 g/mol.
Where can I buy 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one?
You can request a quote for 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-2-(4-iodophenyl)-5-methyl-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.