4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid
TL;DR: 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid (CAS 1003502-76-8) 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.
4-methyl-3-pyrazol-1-ylbenzoic acid
Also Known As: 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid, 4-Methyl-3-pyrazol-1-yl-benzoic acid, 4-methyl-3-pyrazol-1-ylbenzoic acid, 4-methyl-3-pyrazolylbenzoic acid, 4-methyl-3-(pyrazol-1-yl)benzoic acid
Technical Specifications
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.07423 g/mol |
| XLogP | 1.8 |
| 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 | 245.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N2C=CC=N2 |
| InChIKey | BKLMCUHVMWSUCR-UHFFFAOYSA-N |
Chemical Property Profile of 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid
Property Insights of 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-3-(1H-pyrazol-1-yl)Benzoic 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 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid?
The CAS number of 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid is 1003502-76-8.
What is the molecular formula of 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid?
The molecular formula of 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid is C11H10N2O2.
What is the molecular weight of 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid?
The molecular weight of 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid is 202.07423 g/mol.
Where can I buy 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid?
You can request a quote for 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-methyl-3-(1H-pyrazol-1-yl)Benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.