3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid
TL;DR: 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid (CAS 1136-76-1) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2-phenylpyrazole-3-carboxylic acid
Also Known As: 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid, 3-Methyl-1-phenylpyrazole-5-carboxylic acid, 7-Octen-1-ol, 5-methyl-2-phenylpyrazole-3-carboxylic acid, NIOSH/UQ6419000
Technical Specifications
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.07423 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.07423 Da |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
| SMILES | CC1=NN(C(=C1)C(=O)O)C2=CC=CC=C2 |
| InChIKey | CLWQEWCCJFUHNV-UHFFFAOYSA-N |
Chemical Property Profile of 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid
Property Insights of 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic 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-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid is 1136-76-1.
What is the molecular formula of 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid is C11H10N2O2.
What is the molecular weight of 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid is 202.07423 g/mol.
Where can I buy 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.