![methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate structure](/static/products/118/1189891-69-7.webp)
methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate
TL;DR: methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate (CAS 1189891-69-7) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(4-aminopyrazol-1-yl)methyl]benzoate
Also Known As: methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate, Methyl 2-((4-amino-1H-pyrazol-1-yl)methyl)benzoate, methyl 2-[(4-aminopyrazol-1-yl)methyl]benzoate, methyl 2-[(4-aminopyrazolyl)methyl]benzoate, methyl 2-(4-amino-1H-pyrazol-1-yl)methylbenzoate
Technical Specifications
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.10077 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10077 Da |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
| SMILES | COC(=O)C1=CC=CC=C1CN2C=C(C=N2)N |
| InChIKey | QSFZLYUDTYBWMC-UHFFFAOYSA-N |
Chemical Property Profile of methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate
Property Insights of methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate. Following Lipinski's Rule of Five, methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate?
The CAS number of methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate is 1189891-69-7.
What is the molecular formula of methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate?
The molecular formula of methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate is C12H13N3O2.
What is the molecular weight of methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate?
The molecular weight of methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate is 231.10077 g/mol.
Where can I buy methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate?
You can request a quote for methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 2-[(4-amino-1H-pyrazol-1-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.