4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone
TL;DR: 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone (CAS 1022120-98-4) is a chemical compound with molecular formula C17H13ClN2O and molecular weight 296.07166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)-(3-methyl-5-phenylpyrazol-1-yl)methanone
Also Known As: 4-CHLOROPHENYL 3-METHYL-5-PHENYLPYRAZOLYL KETONE, J3.106.532A, 1-(4-Chlorobenzoyl)-3-methyl-5-phenyl-1H-pyrazole, 1-(4-chlorobenzoyl)-3-methyl-5-phenylpyrazole, (4-chlorophenyl)-(3-methyl-5-phenylpyrazol-1-yl)methanone
Technical Specifications
| Molecular Formula | C17H13ClN2O |
| Molecular Weight | 296.07166 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.07166 Da |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
| SMILES | CC1=NN(C(=C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | NRIRCRMTRGWHSA-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone
Property Insights of 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone
The XLogP value of 4.5 indicates that 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone 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 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone?
The CAS number of 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone is 1022120-98-4.
What is the molecular formula of 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone?
The molecular formula of 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone is C17H13ClN2O.
What is the molecular weight of 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone?
The molecular weight of 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone is 296.07166 g/mol.
Where can I buy 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone?
You can request a quote for 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone?
Yes, CoreyChem provides custom synthesis services for 4-Chlorophenyl 3-methyl-5-phenylpyrazolyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.