3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
TL;DR: 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one (CAS 1164505-27-4) is a chemical compound with molecular formula C14H14N2O and molecular weight 226.11061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(1,3-dimethylpyrazol-4-yl)-1-phenylprop-2-en-1-one
Also Known As: 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one, (E)-3-(1,3-dimethylpyrazol-4-yl)-1-phenylprop-2-en-1-one, (2E)-3-(1,3-dimethylpyrazol-4-yl)-1-phenylprop-2-en-1-one, (E)-3-(1,3-dimethyl-4-pyrazolyl)-1-phenyl-2-propen-1-one, (E)-3-(1,3-dimethylpyrazol-4-yl)-1-phenyl-prop-2-en-1-one
Technical Specifications
| Molecular Formula | C14H14N2O |
| Molecular Weight | 226.11061 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.11061 Da |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
| SMILES | CC1=NN(C=C1/C=C/C(=O)C2=CC=CC=C2)C |
| InChIKey | AAYYSLIYNKMBPH-CMDGGOBGSA-N |
Chemical Property Profile of 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
Property Insights of 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one. With a topological polar surface area (TPSA) of 34.9 Ų, 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-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 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one?
The CAS number of 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one is 1164505-27-4.
What is the molecular formula of 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one?
The molecular formula of 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one is C14H14N2O.
What is the molecular weight of 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one?
The molecular weight of 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one is 226.11061 g/mol.
Where can I buy 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one?
You can request a quote for 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.