1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde
TL;DR: 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde (CAS 1004451-68-6) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-acetyl-3-phenylpyrazole-4-carbaldehyde
Also Known As: 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde, 1-acetyl-3-phenylpyrazole-4-carbaldehyde, 1-acetyl-3-phenyl-pyrazole-4-carbaldehyde, 1-Acetyl-3-phenyl-1H-pyrazole-4-carboxaldehyde, 1-ACETYL-3-PHENYL-1 H -PYRAZOLE-4-CARBALDEHYDE
Technical Specifications
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.07423 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.07423 Da |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
| SMILES | CC(=O)N1C=C(C(=N1)C2=CC=CC=C2)C=O |
| InChIKey | LBWZISYGONTAST-UHFFFAOYSA-N |
Chemical Property Profile of 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde
Property Insights of 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 52.0 Ų, 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde 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
What is the CAS number of 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde?
The CAS number of 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde is 1004451-68-6.
What is the molecular formula of 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde?
The molecular formula of 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde is C12H10N2O2.
What is the molecular weight of 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde?
The molecular weight of 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde is 214.07423 g/mol.
Where can I buy 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde?
You can request a quote for 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 1-acetyl-3-phenyl-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.