TL;DR: methyl 2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetate (CAS 1189997-27-0) is a chemical compound with molecular formula C7H11N3O2 and molecular weight 169.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(5-amino-3-methylpyrazol-1-yl)acetate
Also Known As: methyl 2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetate, methyl 2-(5-amino-3-methylpyrazol-1-yl)acetate, methyl 2-(5-amino-3-methylpyrazolyl)acetate, methyl (5-amino-3-methyl-1H-pyrazol-1-yl)acetate, Methyl 2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetate hydrochloride
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.08513 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.08513 Da |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
| SMILES | CC1=NN(C(=C1)N)CC(=O)OC |
| InChIKey | XDWSYJRFBGRNMZ-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetate is 1189997-27-0.
The molecular formula of methyl 2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetate is C7H11N3O2.
The molecular weight of methyl 2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetate is 169.08513 g/mol.
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