(E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one
TL;DR: (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one (CAS 1005558-52-0) is a chemical compound with molecular formula C16H16N2O and molecular weight 252.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one
Also Known As: F3412-0091, (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one, (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, (2E)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one, 2-((1,5-Dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one
Technical Specifications
| Molecular Formula | C16H16N2O |
| Molecular Weight | 252.12627 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.12627 Da |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
| SMILES | CC1=C(C=NN1C)/C=C/2\CCC3=CC=CC=C3C2=O |
| InChIKey | SSMPENLTJDTTFF-UKTHLTGXSA-N |
Chemical Property Profile of (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one
Property Insights of (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one. With a topological polar surface area (TPSA) of 34.9 Ų, (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one?
The CAS number of (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one is 1005558-52-0.
What is the molecular formula of (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one?
The molecular formula of (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one is C16H16N2O.
What is the molecular weight of (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one?
The molecular weight of (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one is 252.12627 g/mol.
Where can I buy (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one?
You can request a quote for (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one?
Yes, CoreyChem provides custom synthesis services for (E)-2-((1,5-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.