Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate
TL;DR: Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate (CAS 1431963-55-1) is a chemical compound with molecular formula C13H15N3O3 and molecular weight 261.11133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[(4-aminopyrazol-1-yl)methyl]-4-methoxybenzoate
Also Known As: Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate, methyl 3-[(4-amino-1H-pyrazol-1-yl)methyl]-4-methoxybenzoate, methyl 3-[(4-aminopyrazolyl)methyl]-4-methoxybenzoate, 3-(4-amino-pyrazol-1-ylmethyl)-4-methoxy-benzoic acid methyl ester, methyl 3-[(4-aminopyrazol-1-yl)methyl]-4-methoxy-benzoate
Technical Specifications
| Molecular Formula | C13H15N3O3 |
| Molecular Weight | 261.11133 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.11133 Da |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)OC)CN2C=C(C=N2)N |
| InChIKey | OBFBTOCZIBMEHS-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate
Property Insights of Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate. Following Lipinski's Rule of Five, Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate has 1 hydrogen bond donor(s) and 5 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 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate?
The CAS number of Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate is 1431963-55-1.
What is the molecular formula of Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate?
The molecular formula of Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate is C13H15N3O3.
What is the molecular weight of Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate?
The molecular weight of Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate is 261.11133 g/mol.
Where can I buy Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate?
You can request a quote for Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-((4-amino-1H-pyrazol-1-yl)methyl)-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.