Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-
TL;DR: Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl- (CAS 1141-70-4) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-methylpyrazole-3-carboxylic acid
Also Known As: 1-Benzyl-3-methyl-1H-pyrazole-5-carboxylic acid, 2-benzyl-5-methylpyrazole-3-carboxylic acid, 1-Benzyl-3-methylpyrazole-5-carboxylic acid, Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-, 1-Benzyl-3-methyl-5-pyrazolecarboxylic acid
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 1141-70-4 |
|---|---|
| SMILES | CC1=NN(C(=C1)C(=O)O)CC2=CC=CC=C2 |
| InChIKey | JJADNHRPPVETTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl- (CAS 1141-70-4), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2-benzyl-5-methylpyrazole-3-carboxylic acid.
Chemical Property Profile of Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-
Property Insights of Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-. With a topological polar surface area (TPSA) of 55.1 Ų, Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl- 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
Frequently Asked Questions
What is the CAS number of Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-?
The CAS number of Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl- is 1141-70-4.
What is the molecular formula of Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-?
The molecular formula of Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl- is C12H12N2O2.
What is the molecular weight of Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-?
The molecular weight of Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl- is 216.09 g/mol.
Where can I buy Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-?
You can request a quote for Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.