3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid
TL;DR: 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid (CAS 100142-73-2) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-phenylpyrazol-4-yl)propanoic acid
Also Known As: 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid, 3-(1-phenylpyrazol-4-yl)propanoic Acid, 1H-Pyrazole-4-propanoic acid, 1-phenyl-, 1H-Pyrazole-4-propanoicacid, 1-phenyl-, 1H-Pyrazole-4-propanoicacid,1-phenyl
Technical Specifications
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.08987 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.08987 Da |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
| SMILES | C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)O |
| InChIKey | NBHCOIXHQRCPQV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid
Property Insights of 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid has 1 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 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid?
The CAS number of 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid is 100142-73-2.
What is the molecular formula of 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid?
The molecular formula of 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid is C12H12N2O2.
What is the molecular weight of 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid?
The molecular weight of 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid is 216.08987 g/mol.
Where can I buy 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid?
You can request a quote for 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.