(4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one
TL;DR: (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one (CAS 1453187-57-9) is a chemical compound with molecular formula C21H16N2O and molecular weight 312.12625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one
Also Known As: BAS 00867930, (4Z)-2,4-Dihydro-5-methyl-4-(1-naphthalenylmethylene)-2-phenyl-3H-pyrazol-3-one, (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one, 3-methyl-4-(naphthylmethylene)-1-phenyl-1,2-diazolin-5-one, 5-methyl-4-(1-naphthylmethylene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Technical Specifications
| Molecular Formula | C21H16N2O |
| Molecular Weight | 312.12625 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.12625 Da |
| Heavy Atoms | 24 |
| Complexity | 544.0 |
| SMILES | CC\1=NN(C(=O)/C1=C\C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4 |
| InChIKey | IJGUBFMDAYWGLY-ZHZULCJRSA-N |
Chemical Property Profile of (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one
Property Insights of (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one
The XLogP value of 4.6 indicates that (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-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 32.7 Ų, (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-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 (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one?
The CAS number of (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one is 1453187-57-9.
What is the molecular formula of (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one?
The molecular formula of (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one is C21H16N2O.
What is the molecular weight of (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one?
The molecular weight of (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one is 312.12625 g/mol.
Where can I buy (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one?
You can request a quote for (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for (4Z)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.