TL;DR: 2-[(1-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(acetylamino)benzoate (CAS 1002651-93-5) is a chemical compound with molecular formula C19H22N4O4 and molecular weight 370.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
Also Known As: 2-[(1-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(acetylamino)benzoate, [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-acetamidobenzoate, 2-[(1-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-acetamidobenzoate
| Molecular Formula | C19H22N4O4 |
| Molecular Weight | 370.1641 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.1641 Da |
| Heavy Atoms | 27 |
| Complexity | 542.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=NN2C3CCCC3 |
| InChIKey | LOSQERLEGBIKFQ-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(acetylamino)benzoate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(acetylamino)benzoate. Following Lipinski's Rule of Five, 2-[(1-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(acetylamino)benzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(1-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(acetylamino)benzoate is 1002651-93-5.
The molecular formula of 2-[(1-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(acetylamino)benzoate is C19H22N4O4.
The molecular weight of 2-[(1-Cyclopentyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(acetylamino)benzoate is 370.1641 g/mol.
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