5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime
TL;DR: 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime (CAS 590410-60-9) is a chemical compound with molecular formula C11H10ClN3O and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
Also Known As: 5-chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime, 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde oxime, (E)-5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime, N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
| Molecular Formula | C11H10ClN3O |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.05124 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 590410-60-9 |
|---|---|
| SMILES | CC1=NN(C(=C1C=NO)Cl)C2=CC=CC=C2 |
| InChIKey | FXCSSKUVKXTGJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime (CAS 590410-60-9), with molecular formula C11H10ClN3O and molecular weight 235.05 g/mol. IUPAC: N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine.
Chemical Property Profile of 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime
Property Insights of 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime
The XLogP value of 3.0 indicates that 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime 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 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime?
The CAS number of 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime is 590410-60-9.
What is the molecular formula of 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime?
The molecular formula of 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime is C11H10ClN3O.
What is the molecular weight of 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime?
The molecular weight of 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime is 235.05 g/mol.
Where can I buy 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime?
You can request a quote for 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehydoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.