![(4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one structure](/static/products/679/679831-35-7.png)
(4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
TL;DR: (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one (CAS 679831-35-7) is a chemical compound with molecular formula C21H20FN3O and molecular weight 349.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one, (4E)-4-[3-fluoro-4-(pyrrolidin-1-yl)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C21H20FN3O |
|---|---|
| Molecular Weight | 349.16 g/mol |
| LogP | 4.232 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.15903 |
| Heavy Atoms | 26 |
| Complexity | 898.7271 |
Chemical Identifiers
| CAS Number | 679831-35-7 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)N3CCCC3)F)C4=CC=CC=C4 |
Product Overview
(4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one (CAS 679831-35-7), with molecular formula C21H20FN3O and molecular weight 349.16 g/mol. IUPAC: (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
Property Insights of (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
The XLogP value of 4.232 indicates that (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.91 Ų, (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one has 0 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 (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The CAS number of (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one is 679831-35-7.
What is the molecular formula of (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The molecular formula of (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one is C21H20FN3O.
What is the molecular weight of (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The molecular weight of (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one is 349.16 g/mol.
Where can I buy (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
You can request a quote for (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.